C114H123F4N27O5 — CID 161055192
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxycyclohexyl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 161055192) has the molecular formula C114H123F4N27O5 and a molecular weight of 2027.41 g/mol. Its IUPAC name is N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxycyclohexyl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxycyclohexyl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 161055192 |
| Molecular Formula | C114H123F4N27O5 |
| Molecular Weight | 2027.41 g/mol |
| Exact Mass | 2026.01 |
| IUPAC Name | N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxycyclohexyl)methyl]-3-pyridinyl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(CN2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CC4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(CN2CCCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12 |
| InChI | InChI=1S/C31H36N6O2.C28H29F2N7O.C28H31N7O.C27H27F2N7O/c38-27-9-4-21(5-10-27)14-22-15-24(18-32-17-22)23-6-11-29-28(16-23)30(36-35-29)31(39)34-25-7-8-26(33-19-25)20-37-12-2-1-3-13-37;29-28(30)6-10-37(11-7-28)17-19-12-21(15-31-14-19)20-2-5-25-24(13-20)26(35-34-25)27(38)33-22-3-4-23(32-16-22)18-36-8-1-9-36;36-28(31-23-6-7-24(30-17-23)19-35-9-2-1-3-10-35)27-25-14-21(5-8-26(25)32-33-27)22-13-20(15-29-16-22)18-34-11-4-12-34;28-27(29)6-9-36(17-27)15-18-10-20(13-30-12-18)19-2-5-24-23(11-19)25(34-33-24)26(37)32-21-3-4-22(31-14-21)16-35-7-1-8-35/h6-8,11,15-19,21,27,38H,1-5,9-10,12-14,20H2,(H,34,39)(H,35,36);2-5,12-16H,1,6-11,17-18H2,(H,33,38)(H,34,35);5-8,13-17H,1-4,9-12,18-19H2,(H,31,36)(H,32,33);2-5,10-14H,1,6-9,15-17H2,(H,32,37)(H,33,34) |
| InChIKey | UCQPVKYMENLENS-UHFFFAOYSA-N |
| XLogP | 18.84 |
| TPSA | 377.15 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2027.41 |
| LogP ≤ 5 | 18.84 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |