N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
C104H137Cl2F5N24O14 — CID 158099395
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
SMILESCCC(O)(CF)CC(=O)Nc1nc2ccc(OC)nc2n1C1CCC1.COc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2n1.COc1ccc2nc(NC(=O)CC(C)(O)C(F)(F)F)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C(C)(C)C.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(O)C(C)F)n2C(C)(C)C
InChIInChI=1S/C21H24N4O2.C17H24ClFN4O2.C17H25ClN4O.C17H23FN4O3.C16H19F3N4O3.C16H22N4O3/c1-14-11-12-17-19(22-14)25(16-9-6-10-16)20(23-17)24-18(26)13-21(2,27)15-7-4-3-5-8-15;1-9-11(18)7-12-14(20-9)23(16(3,4)5)15(21-12)22-13(24)8-17(6,25)10(2)19;1-10-11(18)8-12-14(19-10)22(17(5,6)7)15(20-12)21-13(23)9-16(2,3)4;1-3-17(24,10-18)9-13(23)20-16-19-12-7-8-14(25-2)21-15(12)22(16)11-5-4-6-11;1-15(25,16(17,18)19)8-11(24)21-14-20-10-6-7-12(26-2)22-13(10)23(14)9-4-3-5-9;1-16(2,22)9-12(21)18-15-17-11-7-8-13(23-3)19-14(11)20(15)10-5-4-6-10/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26);7,10,25H,8H2,1-6H3,(H,21,22,24);8H,9H2,1-7H3,(H,20,21,23);7-8,11,24H,3-6,9-10H2,1-2H3,(H,19,20,23);6-7,9,25H,3-5,8H2,1-2H3,(H,20,21,24);7-8,10,22H,4-6,9H2,1-3H3,(H,17,18,21)/t21-;;;;;/m0...../s1
InChIKeyFPBNSQHRYMATQW-DHOIFHORSA-N
MW2113.29 g/mol
LogP19.48
Rot. Bonds28
About N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide (PubChem CID 158099395) has the molecular formula C104H137Cl2F5N24O14 and a molecular weight of 2113.29 g/mol. Its IUPAC name is N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide.
Molecular Properties
| Compound Name | N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide |
|---|---|
| PubChem CID | 158099395 |
| Molecular Formula | C104H137Cl2F5N24O14 |
| Molecular Weight | 2113.29 g/mol |
| Exact Mass | 2111.00 |
| IUPAC Name | N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide |
| SMILES | CCC(O)(CF)CC(=O)Nc1nc2ccc(OC)nc2n1C1CCC1.COc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2n1.COc1ccc2nc(NC(=O)CC(C)(O)C(F)(F)F)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C(C)(C)C.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(O)C(C)F)n2C(C)(C)C |
| InChI | InChI=1S/C21H24N4O2.C17H24ClFN4O2.C17H25ClN4O.C17H23FN4O3.C16H19F3N4O3.C16H22N4O3/c1-14-11-12-17-19(22-14)25(16-9-6-10-16)20(23-17)24-18(26)13-21(2,27)15-7-4-3-5-8-15;1-9-11(18)7-12-14(20-9)23(16(3,4)5)15(21-12)22-13(24)8-17(6,25)10(2)19;1-10-11(18)8-12-14(19-10)22(17(5,6)7)15(20-12)21-13(23)9-16(2,3)4;1-3-17(24,10-18)9-13(23)20-16-19-12-7-8-14(25-2)21-15(12)22(16)11-5-4-6-11;1-15(25,16(17,18)19)8-11(24)21-14-20-10-6-7-12(26-2)22-13(10)23(14)9-4-3-5-9;1-16(2,22)9-12(21)18-15-17-11-7-8-13(23-3)19-14(11)20(15)10-5-4-6-10/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26);7,10,25H,8H2,1-6H3,(H,21,22,24);8H,9H2,1-7H3,(H,20,21,23);7-8,11,24H,3-6,9-10H2,1-2H3,(H,19,20,23);6-7,9,25H,3-5,8H2,1-2H3,(H,20,21,24);7-8,10,22H,4-6,9H2,1-3H3,(H,17,18,21)/t21-;;;;;/m0...../s1 |
| InChIKey | FPBNSQHRYMATQW-DHOIFHORSA-N |
| XLogP | 19.48 |
| TPSA | 487.70 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 149 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2113.29 |
| LogP ≤ 5 | 19.48 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 32 |
Frequently Asked Questions
What is the IUPAC name of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide (CID 158099395) is N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide is CCC(O)(CF)CC(=O)Nc1nc2ccc(OC)nc2n1C1CCC1.COc1ccc2nc(NC(=O)CC(C)(C)O)n(C3CCC3)c2n1.COc1ccc2nc(NC(=O)CC(C)(O)C(F)(F)F)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(C3CCC3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C(C)(C)C.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(O)C(C)F)n2C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is FPBNSQHRYMATQW-DHOIFHORSA-N. The full InChI is InChI=1S/C21H24N4O2.C17H24ClFN4O2.C17H25ClN4O.C17H23FN4O3.C16H19F3N4O3.C16H22N4O3/c1-14-11-12-17-19(22-14)25(16-9-6-10-16)20(23-17)24-18(26)13-21(2,27)15-7-4-3-5-8-15;1-9-11(18)7-12-14(20-9)23(16(3,4)5)15(21-12)22-13(24)8-17(6,25)10(2)19;1-10-11(18)8-12-14(19-10)22(17(5,6)7)15(20-12)21-13(23)9-16(2,3)4;1-3-17(24,10-18)9-13(23)20-16-19-12-7-8-14(25-2)21-15(12)22(16)11-5-4-6-11;1-15(25,16(17,18)19)8-11(24)21-14-20-10-6-7-12(26-2)22-13(10)23(14)9-4-3-5-9;1-16(2,22)9-12(21)18-15-17-11-7-8-13(23-3)19-14(11)20(15)10-5-4-6-10/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26);7,10,25H,8H2,1-6H3,(H,21,22,24);8H,9H2,1-7H3,(H,20,21,23);7-8,11,24H,3-6,9-10H2,1-2H3,(H,19,20,23);6-7,9,25H,3-5,8H2,1-2H3,(H,20,21,24);7-8,10,22H,4-6,9H2,1-3H3,(H,17,18,21)/t21-;;;;;/m0...../s1.
What are the key properties of N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 2113.29 g/mol, XLogP of 19.48, 28 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-methylpentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;N-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 158099395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158099395 — identifiers, structure, computed properties (public domain)
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