C108H112F2N28O8 — CID 158346239
5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158346239) has the molecular formula C108H112F2N28O8 and a molecular weight of 1968.27 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158346239 |
| Molecular Formula | C108H112F2N28O8 |
| Molecular Weight | 1968.27 g/mol |
| Exact Mass | 1966.92 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(CN5CCCC5)nc4)c3c2)c1.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccc(CN2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12 |
| InChI | InChI=1S/C29H31N7O3.C28H29F2N7O.C28H29N7O3.C23H23N7O/c37-23-7-11-35(12-8-23)18-19-13-21(16-30-15-19)20-3-5-25-24(14-20)27(34-33-25)28(38)32-22-4-6-26(31-17-22)29(39)36-9-1-2-10-36;29-28(30)7-10-37(18-28)16-19-11-21(14-31-13-19)20-3-6-25-24(12-20)26(35-34-25)27(38)33-22-4-5-23(32-15-22)17-36-8-1-2-9-36;36-27(31-22-4-6-25(30-17-22)28(37)35-7-1-2-8-35)26-23-14-20(3-5-24(23)32-33-26)21-13-19(15-29-16-21)18-34-9-11-38-12-10-34;24-17-9-16(11-25-12-17)15-3-6-21-20(10-15)22(29-28-21)23(31)27-18-4-5-19(26-13-18)14-30-7-1-2-8-30/h3-6,13-17,23,37H,1-2,7-12,18H2,(H,32,38)(H,33,34);3-6,11-15H,1-2,7-10,16-18H2,(H,33,38)(H,34,35);3-6,13-17H,1-2,7-12,18H2,(H,31,36)(H,32,33);3-6,9-13H,1-2,7-8,14,24H2,(H,27,31)(H,28,29) |
| InChIKey | GRTOLAOEWDDBBY-UHFFFAOYSA-N |
| XLogP | 14.96 |
| TPSA | 446.54 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1968.27 |
| LogP ≤ 5 | 14.96 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |