C102H83F5N22O7 — CID 161135315
N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 161135315) has the molecular formula C102H83F5N22O7 and a molecular weight of 1823.92 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 161135315 |
| Molecular Formula | C102H83F5N22O7 |
| Molecular Weight | 1823.92 g/mol |
| Exact Mass | 1822.67 |
| IUPAC Name | N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cc1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12 |
| InChI | InChI=1S/C26H24N6O2.C26H17N5O2.C25H20F5N5O.C25H22N6O2/c27-13-17-1-4-21(5-2-17)29-26(34)25-23-12-19(3-6-24(23)30-31-25)20-11-18(14-28-15-20)16-32-9-7-22(33)8-10-32;27-14-17-6-9-20(10-7-17)29-26(32)25-23-13-18(8-11-24(23)30-31-25)19-12-22(16-28-15-19)33-21-4-2-1-3-5-21;26-24(27)7-8-35(14-24)13-15-9-17(12-31-11-15)16-1-6-21-20(10-16)22(34-33-21)23(36)32-19-4-2-18(3-5-19)25(28,29)30;26-13-17-1-4-21(5-2-17)28-25(32)24-22-12-19(3-6-23(22)29-30-24)20-11-18(14-27-15-20)16-31-7-9-33-10-8-31/h1-6,11-12,14-15,22,33H,7-10,16H2,(H,29,34)(H,30,31);1-13,15-16H,(H,29,32)(H,30,31);1-6,9-12H,7-8,13-14H2,(H,32,36)(H,33,34);1-6,11-12,14-15H,7-10,16H2,(H,28,32)(H,29,30) |
| InChIKey | UMSHLNIXZHPVHD-UHFFFAOYSA-N |
| XLogP | 18.56 |
| TPSA | 402.46 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1823.92 |
| LogP ≤ 5 | 18.56 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |