C113H113F7N26O8 — CID 161152089
N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 161152089) has the molecular formula C113H113F7N26O8 and a molecular weight of 2096.31 g/mol. Its IUPAC name is N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 161152089 |
| Molecular Formula | C113H113F7N26O8 |
| Molecular Weight | 2096.31 g/mol |
| Exact Mass | 2094.91 |
| IUPAC Name | N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(cyclopentylcarbamoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.O=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.O=C(NC1CCCC1)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12 |
| InChI | InChI=1S/C30H31F2N7O2.C29H29F2N7O2.C28H29N7O2.C26H24F3N5O2/c31-30(32)9-11-39(12-10-30)18-19-13-21(16-33-15-19)20-5-7-25-24(14-20)27(38-37-25)29(41)36-23-6-8-26(34-17-23)28(40)35-22-3-1-2-4-22;30-29(31)9-10-38(17-29)16-18-11-20(14-32-13-18)19-5-7-24-23(12-19)26(37-36-24)28(40)35-22-6-8-25(33-15-22)27(39)34-21-3-1-2-4-21;36-27(31-20-5-1-2-6-20)25-10-8-21(16-30-25)32-28(37)26-23-14-18(7-9-24(23)33-34-26)19-13-22(17-29-15-19)35-11-3-4-12-35;27-26(28,29)19-2-4-20(5-3-19)31-25(36)24-22-12-17(1-6-23(22)32-33-24)18-11-16(13-30-14-18)15-34-9-7-21(35)8-10-34/h5-8,13-17,22H,1-4,9-12,18H2,(H,35,40)(H,36,41)(H,37,38);5-8,11-15,21H,1-4,9-10,16-17H2,(H,34,39)(H,35,40)(H,36,37);7-10,13-17,20H,1-6,11-12H2,(H,31,36)(H,32,37)(H,33,34);1-6,11-14,21,35H,7-10,15H2,(H,31,36)(H,32,33) |
| InChIKey | UOUVJHWUELYILA-UHFFFAOYSA-N |
| XLogP | 19.36 |
| TPSA | 441.84 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 154 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2096.31 |
| LogP ≤ 5 | 19.36 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 23 |