| CAS Number | 1448693-69-3 |
| Catalog Number | AG01B7F6(AGN-PC-0WOA3K) |
| Chemical Name | N-[3-(2H-indazol-6-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-1-(oxan-4-yl)-1H-pyrazol-4-amine |
| IUPAC Name | 3-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine |
| InChI | InChI=1S/C19H18N10O/c1-2-15(7-16-12(1)8-21-25-16)29-18-17(26-27-29)10-20-19(24-18)23-13-9-22-28(11-13)14-3-5-30-6-4-14/h1-2,7-11,14H,3-6H2,(H,21,25)(H,20,23,24) |
| InChI Key | CFNFLNGJQOHNPR-UHFFFAOYSA-N |
| MDL Number | MFCD31657326 |
| Molecular Formula | C19H18N10O |
| Molecular Weight | 402.4126 |
| SMILES | N1N=CC2=CC=C(C=C12)N1N=NC2=C1N=C(N=C2)NC=2C=NN(C2)C2CCOCC2 |
| Synonyms | GCN2-IN-1,
1448693-69-3,
SCHEMBL15148977,
ZINC217873341,
A-92,
HY-100877,
CS-0020538,
3-(1H-Indazol-6-yl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine,
N-[3-(2H-indazol-6-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-1-(oxan-4-yl)-1H-pyrazol-4-amine,
R-7050,
303997-35-5,
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| Complexity | 592 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 402.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 402.422g/mol |
| Monoisotopic Mass | 402.167g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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