| Catalog Number | ACM1202402401 |
| CAS | 1202402-40-1 |
| IUPAC Name | 7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amine |
| Synonyms | CPI-444;ciforadenant;1202402-40-1;CPI444;V81444;UNII-8KFO2187CP;8KFO2187CP;V-81444;(S)-7-(5-methylfuran-2-yl)-3-((6-(((tetrahydrofuran-3-yl)oxy)methyl)pyridin-2-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine;Ciforadenant (USAN);Ciforadenant [USAN];7-(5-Methyl-2-furanyl)-3-[[6-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]-2-pyridinyl]methyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-5-amine;7-(5-methylfuran-2-yl)-3-[[6-[[(3S)-oxolan-3-yl]oxymethyl]pyridin-2-yl]methyl]triazolo[4,5-d]pyrimidin-5-amine;CPI 444;(S)-7-(5-methylfuran-2-yl)-3-((6-(((tetrahydrofuran-3-yl)oxy)methyl)pyridin-2-yl)methyl)-3H-(1,2,3)triazolo(4,5-d)pyrimidin-5-amine;Ciforadenant [INN];Ciforadenant [USAN:INN];V 81444;SCHEMBL536782;CHEMBL4297184;GTPL10190;AMY16758;BCP20881;EX-A1716;NSC801812;s6646;WHO 10767;ACN-051237;CS-7627;NSC-801812;V81444;Triazolo-pyramidine derivative;AS-75173;HY-101978;D11547;(S)-7-(5-Methylfuran-2-yl)-3-((6-((tetrahydrofuran-3-yloxy)methyl)pyridin-2-yl)methyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine;3H-1,2,3-Triazolo(4,5-d)pyrimidin-5-amine, 7-(5-methyl-2-furanyl)-3-((6-((((3S)-tetrahydro-3-furanyl)oxy)methyl)-2-pyridinyl)methyl)-;7-(5-methylfuran-2-yl)-3-[(6-{[(3S)-oxolan-3-yloxy]methyl}pyridin-2-yl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine |
| Molecular Weight | 407.4g/mol |
| Molecular Formula | C20H21N7O3 |
| Canonical SMILES | CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)COC5CCOC5 |
| InChI | InChI=1S/C20H21N7O3/c1-12-5-6-16(30-12)17-18-19(24-20(21)23-17)27(26-25-18)9-13-3-2-4-14(22-13)10-29-15-7-8-28-11-15/h2-6,15H,7-11H2,1H3,(H2,21,23,24)/t15-/m0/s1 |
| InChI Key | KURQKNMKCGYWRJ-HNNXBMFYSA-N |
| Complexity | 573 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 407.17058756g/mol |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 9 |
| Monoisotopic Mass | 407.17058756g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 127Ų |
| UNII | 8KFO2187CP |
| X Log P3 | 0.8 |