C127H128F3N31O15 — CID 157088191
N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(6-methoxy-1H-indol-2-yl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide (PubChem CID 157088191) has the molecular formula C127H128F3N31O15 and a molecular weight of 2385.62 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(6-methoxy-1H-indol-2-yl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide.
| Compound Name | N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(6-methoxy-1H-indol-2-yl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide |
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| PubChem CID | 157088191 |
| Molecular Formula | C127H128F3N31O15 |
| Molecular Weight | 2385.62 g/mol |
| Exact Mass | 2384.02 |
| IUPAC Name | N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(3-fluoro-4-pyridinyl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(6-methoxy-1H-indol-2-yl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(2-methyl-4-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(3-methyl-4-pyridinyl)pyridine-2-carboxamide |
| SMILES | CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1.COCCOCCn1cc(NC(=O)c2cccc(-c3cc4ccc(OC)cc4[nH]3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccnc(C)c3)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3C)n2)c(-c2ccccn2)n1.COCCOCCn1cc(NC(=O)c2cccc(-c3ccncc3F)n2)c(-c2ccccn2)n1 |
| InChI | InChI=1S/C28H28N6O4.C25H25F2N7O2.2C25H26N6O3.C24H23FN6O3/c1-36-14-15-38-13-12-34-18-26(27(33-34)22-6-3-4-11-29-22)32-28(35)23-8-5-7-21(30-23)25-16-19-9-10-20(37-2)17-24(19)31-25;1-2-36-18-8-6-17(7-9-18)34-14-22(24(33-34)23-19(27)10-16(26)13-28-23)32-25(35)21-5-3-4-20(31-21)15-11-29-30-12-15;1-18-16-26-11-9-19(18)20-7-5-8-22(28-20)25(32)29-23-17-31(12-13-34-15-14-33-2)30-24(23)21-6-3-4-10-27-21;1-18-16-19(9-11-26-18)20-7-5-8-22(28-20)25(32)29-23-17-31(12-13-34-15-14-33-2)30-24(23)21-6-3-4-10-27-21;1-33-13-14-34-12-11-31-16-22(23(30-31)20-5-2-3-9-27-20)29-24(32)21-7-4-6-19(28-21)17-8-10-26-15-18(17)25/h3-11,16-18,31H,12-15H2,1-2H3,(H,32,35);3-5,10-14,17-18H,2,6-9H2,1H3,(H,29,30)(H,32,35);2*3-11,16-17H,12-15H2,1-2H3,(H,29,32);2-10,15-16H,11-14H2,1H3,(H,29,32) |
| InChIKey | AEILHRKABQQHIN-UHFFFAOYSA-N |
| XLogP | 19.90 |
| TPSA | 538.94 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2385.62 |
| LogP ≤ 5 | 19.90 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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