N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

C55H62Cl3FN12O5 — CID 157258571

IUPACN-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESC[C@@](O)(CC(=O)Nc1nc2cc(Cl)c(Cl)nc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(F)cc3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C1CCC1
InChIInChI=1S/C20H20Cl2N4O2.C18H19FN4O2.C17H23ClN4O/c1-20(28,12-6-3-2-4-7-12)11-16(27)24-19-23-15-10-14(21)17(22)25-18(15)26(19)13-8-5-9-13;1-11-4-9-14-16(20-11)23(13-7-5-12(19)6-8-13)17(21-14)22-15(24)10-18(2,3)25;1-10-12(18)8-13-15(19-10)22(11-6-5-7-11)16(20-13)21-14(23)9-17(2,3)4/h2-4,6-7,10,13,28H,5,8-9,11H2,1H3,(H,23,24,27);4-9,25H,10H2,1-3H3,(H,21,22,24);8,11H,5-7,9H2,1-4H3,(H,20,21,23)/t20-;;/m1../s1
InChIKeyAXEKJCYZCLHZJJ-FAVHNTAZSA-N
MW1096.54 g/mol
LogP12.16
Rot. Bonds12

About N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide

N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (PubChem CID 157258571) has the molecular formula C55H62Cl3FN12O5 and a molecular weight of 1096.54 g/mol. Its IUPAC name is N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
PubChem CID157258571
Molecular FormulaC55H62Cl3FN12O5
Molecular Weight1096.54 g/mol
Exact Mass1094.40
IUPAC NameN-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
SMILESC[C@@](O)(CC(=O)Nc1nc2cc(Cl)c(Cl)nc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(F)cc3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C1CCC1
InChIInChI=1S/C20H20Cl2N4O2.C18H19FN4O2.C17H23ClN4O/c1-20(28,12-6-3-2-4-7-12)11-16(27)24-19-23-15-10-14(21)17(22)25-18(15)26(19)13-8-5-9-13;1-11-4-9-14-16(20-11)23(13-7-5-12(19)6-8-13)17(21-14)22-15(24)10-18(2,3)25;1-10-12(18)8-13-15(19-10)22(11-6-5-7-11)16(20-13)21-14(23)9-17(2,3)4/h2-4,6-7,10,13,28H,5,8-9,11H2,1H3,(H,23,24,27);4-9,25H,10H2,1-3H3,(H,21,22,24);8,11H,5-7,9H2,1-4H3,(H,20,21,23)/t20-;;/m1../s1
InChIKeyAXEKJCYZCLHZJJ-FAVHNTAZSA-N
XLogP12.16
TPSA219.89 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.54
LogP ≤ 512.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide with MolForge

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Related Compounds

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
(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 137393658
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 158987889
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 90448043
(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide
CID 130359765
(3S)-N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 129075984
(3R)-N-(6-chloro-7-cyano-1-cyclobutylbenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 129075889
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468
N-[5-chloro-3-(3,4-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-chloro-3-(3,5-difluorophenyl)-6-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 160549347
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The IUPAC name of N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide (CID 157258571) is N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The canonical SMILES for N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is C[C@@](O)(CC(=O)Nc1nc2cc(Cl)c(Cl)nc2n1C1CCC1)c1ccccc1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(-c3ccc(F)cc3)c2n1.Cc1nc2c(cc1Cl)nc(NC(=O)CC(C)(C)C)n2C1CCC1.
What is the InChIKey of N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
The InChIKey is AXEKJCYZCLHZJJ-FAVHNTAZSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2.C18H19FN4O2.C17H23ClN4O/c1-20(28,12-6-3-2-4-7-12)11-16(27)24-19-23-15-10-14(21)17(22)25-18(15)26(19)13-8-5-9-13;1-11-4-9-14-16(20-11)23(13-7-5-12(19)6-8-13)17(21-14)22-15(24)10-18(2,3)25;1-10-12(18)8-13-15(19-10)22(11-6-5-7-11)16(20-13)21-14(23)9-17(2,3)4/h2-4,6-7,10,13,28H,5,8-9,11H2,1H3,(H,23,24,27);4-9,25H,10H2,1-3H3,(H,21,22,24);8,11H,5-7,9H2,1-4H3,(H,20,21,23)/t20-;;/m1../s1.
What are the key properties of N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide?
N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide has a molecular weight of 1096.54 g/mol, XLogP of 12.16, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;(3R)-N-(5,6-dichloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide;N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 157258571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).