C95H104F2N32O4 — CID 161098048
N-(5,7-difluoro-1H-indazol-3-yl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-amine;3-[[2-(4-methylpiperidin-1-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanone;3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxamide;[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol (PubChem CID 161098048) has the molecular formula C95H104F2N32O4 and a molecular weight of 1796.09 g/mol. Its IUPAC name is N-(5,7-difluoro-1H-indazol-3-yl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-amine;3-[[2-(4-methylpiperidin-1-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanone;3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxamide;[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol.
| Compound Name | N-(5,7-difluoro-1H-indazol-3-yl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-amine;3-[[2-(4-methylpiperidin-1-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanone;3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxamide;[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol |
|---|---|
| PubChem CID | 161098048 |
| Molecular Formula | C95H104F2N32O4 |
| Molecular Weight | 1796.09 g/mol |
| Exact Mass | 1794.89 |
| IUPAC Name | N-(5,7-difluoro-1H-indazol-3-yl)-2-phenyl-5,6,7,8-tetrahydroquinazolin-4-amine;3-[[2-(4-methylpiperidin-1-yl)quinazolin-4-yl]amino]-1H-pyrazole-5-carboxamide;piperidin-1-yl-[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanone;3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazole-5-carboxamide;[3-[(2-piperidin-1-ylquinazolin-4-yl)amino]-1H-pyrazol-5-yl]methanol |
| SMILES | CC1CCN(c2nc(Nc3cc(C(N)=O)[nH]n3)c3ccccc3n2)CC1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4)nc4c3CCCC4)c2c1.NC(=O)c1cc(Nc2nc(N3CCCCC3)nc3ccccc23)n[nH]1.O=C(c1cc(Nc2nc(N3CCCCC3)nc3ccccc23)n[nH]1)N1CCCCC1.OCc1cc(Nc2nc(N3CCCCC3)nc3ccccc23)n[nH]1 |
| InChI | InChI=1S/C22H27N7O.C21H17F2N5.C18H21N7O.C17H19N7O.C17H20N6O/c30-21(28-11-5-1-6-12-28)18-15-19(27-26-18)24-20-16-9-3-4-10-17(16)23-22(25-20)29-13-7-2-8-14-29;22-13-10-15-18(16(23)11-13)27-28-21(15)26-20-14-8-4-5-9-17(14)24-19(25-20)12-6-2-1-3-7-12;1-11-6-8-25(9-7-11)18-20-13-5-3-2-4-12(13)17(22-18)21-15-10-14(16(19)26)23-24-15;18-15(25)13-10-14(23-22-13)20-16-11-6-2-3-7-12(11)19-17(21-16)24-8-4-1-5-9-24;24-11-12-10-15(22-21-12)19-16-13-6-2-3-7-14(13)18-17(20-16)23-8-4-1-5-9-23/h3-4,9-10,15H,1-2,5-8,11-14H2,(H2,23,24,25,26,27);1-3,6-7,10-11H,4-5,8-9H2,(H2,24,25,26,27,28);2-5,10-11H,6-9H2,1H3,(H2,19,26)(H2,20,21,22,23,24);2-3,6-7,10H,1,4-5,8-9H2,(H2,18,25)(H2,19,20,21,22,23);2-3,6-7,10,24H,1,4-5,8-9,11H2,(H2,18,19,20,21,22) |
| InChIKey | UIBBAIHGWUMDJP-UHFFFAOYSA-N |
| XLogP | 15.83 |
| TPSA | 472.13 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 133 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1796.09 |
| LogP ≤ 5 | 15.83 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 28 |