C90H104Br3Cl5F6N18O18 — CID 165108848
N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide;5-bromo-3-chloro-4-ethoxypyridin-2-amine;5-bromo-4-ethoxypyridin-2-amine;tert-butyl N-(5-bromo-3-chloro-4-ethoxy-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-chloro-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-4-ethoxy-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;N-[8-chloro-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 165108848) has the molecular formula C90H104Br3Cl5F6N18O18 and a molecular weight of 2256.89 g/mol. Its IUPAC name is N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide;5-bromo-3-chloro-4-ethoxypyridin-2-amine;5-bromo-4-ethoxypyridin-2-amine;tert-butyl N-(5-bromo-3-chloro-4-ethoxy-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-chloro-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-4-ethoxy-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;N-[8-chloro-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide;5-bromo-3-chloro-4-ethoxypyridin-2-amine;5-bromo-4-ethoxypyridin-2-amine;tert-butyl N-(5-bromo-3-chloro-4-ethoxy-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-chloro-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-4-ethoxy-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;N-[8-chloro-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 165108848 |
| Molecular Formula | C90H104Br3Cl5F6N18O18 |
| Molecular Weight | 2256.89 g/mol |
| Exact Mass | 2250.37 |
| IUPAC Name | N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide;5-bromo-3-chloro-4-ethoxypyridin-2-amine;5-bromo-4-ethoxypyridin-2-amine;tert-butyl N-(5-bromo-3-chloro-4-ethoxy-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-chloro-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-4-ethoxy-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;N-[8-chloro-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide |
| SMILES | CCOc1c(Br)cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1Cl.CCOc1c(Br)cnc(N)c1Cl.CCOc1c(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc2c1Cl.CCOc1c(NC(=O)c2cccc(C(F)F)n2)cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1Cl.CCOc1c(NC(=O)c2cccc(C(F)F)n2)cnc(N)c1Cl.CCOc1cc(N)ncc1Br |
| InChI | InChI=1S/C24H29ClF2N4O6.C21H21ClF2N4O3.C17H24BrClN2O5.C14H13ClF2N4O2.C7H8BrClN2O.C7H9BrN2O/c1-8-35-17-15(30-20(32)14-11-9-10-13(29-14)18(26)27)12-28-19(16(17)25)31(21(33)36-23(2,3)4)22(34)37-24(5,6)7;1-2-31-18-16(27-21(29)14-5-3-4-13(25-14)19(23)24)11-28-10-15(26-20(28)17(18)22)12-6-8-30-9-7-12;1-8-24-12-10(18)9-20-13(11(12)19)21(14(22)25-16(2,3)4)15(23)26-17(5,6)7;1-2-23-11-9(6-19-13(18)10(11)15)21-14(22)8-5-3-4-7(20-8)12(16)17;1-2-12-6-4(8)3-11-7(10)5(6)9;1-2-11-6-3-7(9)10-4-5(6)8/h9-12,18H,8H2,1-7H3,(H,30,32);3-5,10-12,19H,2,6-9H2,1H3,(H,27,29);9H,8H2,1-7H3;3-6,12H,2H2,1H3,(H2,18,19)(H,21,22);3H,2H2,1H3,(H2,10,11);3-4H,2H2,1H3,(H2,9,10) |
| InChIKey | ZPNBSEWQFDVTCC-UHFFFAOYSA-N |
| XLogP | 24.44 |
| TPSA | 462.07 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2256.89 |
| LogP ≤ 5 | 24.44 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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