C116H139ClF4N20O6 — CID 158284413
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)prop-2-enamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2-methoxy-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3,4,5-trifluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158284413) has the molecular formula C116H139ClF4N20O6 and a molecular weight of 2020.97 g/mol. Its IUPAC name is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)prop-2-enamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2-methoxy-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3,4,5-trifluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.
| Compound Name | N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)prop-2-enamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2-methoxy-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3,4,5-trifluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide |
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| PubChem CID | 158284413 |
| Molecular Formula | C116H139ClF4N20O6 |
| Molecular Weight | 2020.97 g/mol |
| Exact Mass | 2019.08 |
| IUPAC Name | N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;(E)-3-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)prop-2-enamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide;2-methoxy-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3,4,5-trifluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide |
| SMILES | CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)/C=C/c1ccccc1Cl.CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(F)c1.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1OC.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1.CCCn1c(CN(CCC(C)C)C(=O)c2cc(F)c(F)c(F)c2)nc2cccnc21 |
| InChI | InChI=1S/C25H29ClN4O.C23H27FN4O.C23H30N4O2.C23H28N4O.C22H25F3N4O/c1-18(2)13-15-29(24(31)12-11-20-6-3-4-7-21(20)26)17-23-28-22-8-5-14-27-25(22)30(23)16-19-9-10-19;1-16(2)14-27(23(29)17-7-5-8-18(24)13-17)15-21-26-20-11-6-12-25-22(20)28(21)19-9-3-4-10-19;1-4-6-9-16-26(23(28)18-11-7-8-13-20(18)29-3)17-21-25-19-12-10-14-24-22(19)27(21)15-5-2;1-2-3-16-26(23(28)18-10-5-4-6-11-18)17-21-25-20-14-9-15-24-22(20)27(21)19-12-7-8-13-19;1-4-9-29-19(27-18-6-5-8-26-21(18)29)13-28(10-7-14(2)3)22(30)15-11-16(23)20(25)17(24)12-15/h3-8,11-12,14,18-19H,9-10,13,15-17H2,1-2H3;5-8,11-13,16,19H,3-4,9-10,14-15H2,1-2H3;7-8,10-14H,4-6,9,15-17H2,1-3H3;4-6,9-11,14-15,19H,2-3,7-8,12-13,16-17H2,1H3;5-6,8,11-12,14H,4,7,9-10,13H2,1-3H3/b12-11+;;;; |
| InChIKey | GKPHEVDLTKWQHS-MOSUJMLHSA-N |
| XLogP | 25.19 |
| TPSA | 264.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 147 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2020.97 |
| LogP ≤ 5 | 25.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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