C120H133F2N29O14 — CID 159878556
3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide (PubChem CID 159878556) has the molecular formula C120H133F2N29O14 and a molecular weight of 2243.57 g/mol. Its IUPAC name is 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide.
| Compound Name | 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide |
|---|---|
| PubChem CID | 159878556 |
| Molecular Formula | C120H133F2N29O14 |
| Molecular Weight | 2243.57 g/mol |
| Exact Mass | 2242.06 |
| IUPAC Name | 3-amino-N-[3-(cyclohexylmethoxy)-1-methylpyrazolo[4,3-b]pyridin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-methyl-3-(oxolan-3-ylmethoxy)indazol-6-yl]pyrazine-2-carboxamide;3-(cyclohexylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-fluoropyridine-2-carboxamide;N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-5-methylpyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]-3-fluoropyridine-2-carboxamide |
| SMILES | Cc1ccc(C(=O)Nc2ccc3c(OCC4CCCC4)nn(C)c3c2)nc1.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCCC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCCC2)c2ncc(NC(=O)c3ncccc3N)cc21.Cn1nc(OCC2CCOC2)c2ccc(NC(=O)c3nccnc3N)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ncccc3F)cc21 |
| InChI | InChI=1S/C22H25N5O.C21H24N4O2.C20H21FN4O2.C20H24N6O2.C19H19FN4O4.C18H20N6O3/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-14-7-10-18(22-12-14)20(26)23-16-8-9-17-19(11-16)25(2)24-21(17)27-13-15-5-3-4-6-15;1-25-18-10-15(23-19(26)17-9-6-14(21)11-22-17)7-8-16(18)20(24-25)27-12-13-4-2-3-5-13;1-26-16-10-14(24-19(27)17-15(21)8-5-9-22-17)11-23-18(16)20(25-26)28-12-13-6-3-2-4-7-13;1-24-16-9-12(22-18(25)17-15(20)3-2-6-21-17)4-5-14(16)19(23-24)28-11-13-10-26-7-8-27-13;1-24-14-8-12(22-17(25)15-16(19)21-6-5-20-15)2-3-13(14)18(23-24)27-10-11-4-7-26-9-11/h5,8-12,15H,2-4,6-7,13-14H2,1H3,(H,24,25);7-12,15H,3-6,13H2,1-2H3,(H,23,26);6-11,13H,2-5,12H2,1H3,(H,23,26);5,8-11,13H,2-4,6-7,12,21H2,1H3,(H,24,27);2-6,9,13H,7-8,10-11H2,1H3,(H,22,25);2-3,5-6,8,11H,4,7,9-10H2,1H3,(H2,19,21)(H,22,25)/t;;;;13-;/m....0./s1 |
| InChIKey | NTFQKGQZWPSEDK-VCMMRISDSA-N |
| XLogP | 19.25 |
| TPSA | 515.04 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2243.57 |
| LogP ≤ 5 | 19.25 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 38 |