LGM
Summary
| Name: | 3-METHYL-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-6-(2'-(PYRROLIDIN-1-YLMETHYL)BIPHENYL-4-YL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7(4H)-ONE |
| Formula: | C32 H31 N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 545.634 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | 3-methyl-1-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)phenyl]-6-[4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-4,5-dihydropyrazolo[3,4-c]pyridin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | Cc1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7 |
| SMILES | CACTVS | 3.352 | Cc1nn(c2cccc(c2)C3=NNC(=O)N3)c4C(=O)N(CCc14)c5ccc(cc5)c6ccccc6CN7CCCC7 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7 |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c2c(n(n1)c3cccc(c3)C4=NNC(=O)N4)C(=O)N(CC2)c5ccc(cc5)c6ccccc6CN7CCCC7 |
| InChI | InChI | 1.03 | InChI=1S/C32H31N7O2/c1-21-27-15-18-38(25-13-11-22(12-14-25)28-10-3-2-7-24(28)20-37-16-4-5-17-37)31(40)29(27)39(36-21)26-9-6-8-23(19-26)30-33-32(41)35-34-30/h2-3,6-14,19H,4-5,15-18,20H2,1H3,(H2,33,34,35,41) |
| InChIKey | InChI | 1.03 | DBOPERRYUICVTA-UHFFFAOYSA-N |
