C136H143F3N30O20 — CID 159847464
3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-6-fluoropyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[3-[2-(3-fluoro-3-methylcyclobutyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide (PubChem CID 159847464) has the molecular formula C136H143F3N30O20 and a molecular weight of 2574.82 g/mol. Its IUPAC name is 3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-6-fluoropyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[3-[2-(3-fluoro-3-methylcyclobutyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide.
| Compound Name | 3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-6-fluoropyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[3-[2-(3-fluoro-3-methylcyclobutyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide |
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| PubChem CID | 159847464 |
| Molecular Formula | C136H143F3N30O20 |
| Molecular Weight | 2574.82 g/mol |
| Exact Mass | 2573.10 |
| IUPAC Name | 3-amino-N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;3-amino-N-[3-[[(2R)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;bis(N-[3-(cyclopentylmethoxy)-1H-indazol-6-yl]pyridine-2-carboxamide);N-[3-(cyclopentylmethoxy)-1-methylindazol-6-yl]-6-fluoropyridine-2-carboxamide;N-[3-[[(2S)-1,4-dioxan-2-yl]methoxy]-1-methylindazol-6-yl]pyridine-2-carboxamide;5-fluoro-N-[3-[2-(3-fluoro-3-methylcyclobutyl)acetyl]-1-methylindazol-6-yl]pyridine-2-carboxamide |
| SMILES | Cn1nc(C(=O)CC2CC(C)(F)C2)c2ccc(NC(=O)c3ccc(F)cn3)cc21.Cn1nc(OCC2CCCC2)c2ccc(NC(=O)c3cccc(F)n3)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ccccn3)cc21.Cn1nc(OC[C@@H]2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21.Cn1nc(OC[C@H]2COCCO2)c2ccc(NC(=O)c3ncccc3N)cc21.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1.O=C(Nc1ccc2c(OCC3CCCC3)n[nH]c2c1)c1ccccn1 |
| InChI | InChI=1S/C21H20F2N4O2.C20H21FN4O2.2C19H21N5O4.C19H20N4O4.2C19H20N4O2/c1-21(23)9-12(10-21)7-18(28)19-15-5-4-14(8-17(15)27(2)26-19)25-20(29)16-6-3-13(22)11-24-16;1-25-17-11-14(22-19(26)16-7-4-8-18(21)23-16)9-10-15(17)20(24-25)27-12-13-5-2-3-6-13;2*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;1-23-17-10-13(21-18(24)16-4-2-3-7-20-16)5-6-15(17)19(22-23)27-12-14-11-25-8-9-26-14;2*24-18(16-7-3-4-10-20-16)21-14-8-9-15-17(11-14)22-23-19(15)25-12-13-5-1-2-6-13/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,25,29);4,7-11,13H,2-3,5-6,12H2,1H3,(H,22,26);2*2-6,9,13H,7-8,10-11,20H2,1H3,(H,22,25);2-7,10,14H,8-9,11-12H2,1H3,(H,21,24);2*3-4,7-11,13H,1-2,5-6,12H2,(H,21,24)(H,22,23)/t;;2*13-;14-;;/m..100../s1 |
| InChIKey | NPMNPSNPLVNCAH-KDFRYQQPSA-N |
| XLogP | 20.77 |
| TPSA | 620.26 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 189 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2574.82 |
| LogP ≤ 5 | 20.77 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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