(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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

C63H72ClN13O6 — CID 161333538

IUPAC(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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
SMILESCC(C)Cn1c(NC(=O)C[C@@](C)(O)c2ccccc2)nc2ccc(Cl)nc21.C[C@@](O)(CC(=O)Nc1nc2ccc(C3CC3)nc2n1C1CCC1)c1ccccc1.Cc1cnc2c(c1)nc(NC(=O)C[C@@](C)(O)c1ccccn1)n2C1CCC1
InChIInChI=1S/C23H26N4O2.C20H23ClN4O2.C20H23N5O2/c1-23(29,16-6-3-2-4-7-16)14-20(28)26-22-25-19-13-12-18(15-10-11-15)24-21(19)27(22)17-8-5-9-17;1-13(2)12-25-18-15(9-10-16(21)23-18)22-19(25)24-17(26)11-20(3,27)14-7-5-4-6-8-14;1-13-10-15-18(22-12-13)25(14-6-5-7-14)19(23-15)24-17(26)11-20(2,27)16-8-3-4-9-21-16/h2-4,6-7,12-13,15,17,29H,5,8-11,14H2,1H3,(H,25,26,28);4-10,13,27H,11-12H2,1-3H3,(H,22,24,26);3-4,8-10,12,14,27H,5-7,11H2,1-2H3,(H,23,24,26)/t23-;2*20-/m111/s1
InChIKeyVLSRJOWREZQBNU-BPFQDXFWSA-N
MW1142.81 g/mol
LogP11.34
Rot. Bonds17

About (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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

(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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 (PubChem CID 161333538) has the molecular formula C63H72ClN13O6 and a molecular weight of 1142.81 g/mol. Its IUPAC name is (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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.

Molecular Properties

Compound Name(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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
PubChem CID161333538
Molecular FormulaC63H72ClN13O6
Molecular Weight1142.81 g/mol
Exact Mass1141.54
IUPAC Name(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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
SMILESCC(C)Cn1c(NC(=O)C[C@@](C)(O)c2ccccc2)nc2ccc(Cl)nc21.C[C@@](O)(CC(=O)Nc1nc2ccc(C3CC3)nc2n1C1CCC1)c1ccccc1.Cc1cnc2c(c1)nc(NC(=O)C[C@@](C)(O)c1ccccn1)n2C1CCC1
InChIInChI=1S/C23H26N4O2.C20H23ClN4O2.C20H23N5O2/c1-23(29,16-6-3-2-4-7-16)14-20(28)26-22-25-19-13-12-18(15-10-11-15)24-21(19)27(22)17-8-5-9-17;1-13(2)12-25-18-15(9-10-16(21)23-18)22-19(25)24-17(26)11-20(3,27)14-7-5-4-6-8-14;1-13-10-15-18(22-12-13)25(14-6-5-7-14)19(23-15)24-17(26)11-20(2,27)16-8-3-4-9-21-16/h2-4,6-7,12-13,15,17,29H,5,8-11,14H2,1H3,(H,25,26,28);4-10,13,27H,11-12H2,1-3H3,(H,22,24,26);3-4,8-10,12,14,27H,5-7,11H2,1-2H3,(H,23,24,26)/t23-;2*20-/m111/s1
InChIKeyVLSRJOWREZQBNU-BPFQDXFWSA-N
XLogP11.34
TPSA253.01 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001142.81
LogP ≤ 511.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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 with MolForge

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Related Compounds

(3R)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide
CID 130359661
(3S)-3-(2-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
CID 130361353
(3S)-3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
CID 130361364
3-(2-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
CID 137392964
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-pyridin-2-ylbutanamide
CID 137393188
3-(4-chlorophenyl)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxybutanamide
CID 139504921
N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;bis(N-(3-tert-butyl-6-chloro-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide);N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-(fluoromethyl)-3-methylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4,4-trifluoro-3,3-dimethylbutanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 157314171
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-ethyl-3-hydroxypentanamide;(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(3,5-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 157892462
CID 157909350
CID 157909350
N-(5-chloro-3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(5-chloro-3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpropanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpropanamide;(2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(1-methylcyclobutyl)propanamide;(2S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2,3,3-trimethylpentanamide
CID 158945582
(3R)-N-[5-chloro-3-(3,3-difluorocyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-(fluoromethyl)-3-hydroxypentanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(fluoromethyl)-3-hydroxypentanamide;3-(fluoromethyl)-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]pentanamide
CID 159978636
N-(5-chloro-3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide;(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpropanamide;(3S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylpropanamide;(2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-(1-methylcyclobutyl)propanamide;(2S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2,3,3-trimethylpentanamide
CID 160134513

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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?
The IUPAC name of (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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 (CID 161333538) is (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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.
What is the SMILES notation for (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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?
The canonical SMILES for (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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 is CC(C)Cn1c(NC(=O)C[C@@](C)(O)c2ccccc2)nc2ccc(Cl)nc21.C[C@@](O)(CC(=O)Nc1nc2ccc(C3CC3)nc2n1C1CCC1)c1ccccc1.Cc1cnc2c(c1)nc(NC(=O)C[C@@](C)(O)c1ccccn1)n2C1CCC1.
What is the InChIKey of (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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?
The InChIKey is VLSRJOWREZQBNU-BPFQDXFWSA-N. The full InChI is InChI=1S/C23H26N4O2.C20H23ClN4O2.C20H23N5O2/c1-23(29,16-6-3-2-4-7-16)14-20(28)26-22-25-19-13-12-18(15-10-11-15)24-21(19)27(22)17-8-5-9-17;1-13(2)12-25-18-15(9-10-16(21)23-18)22-19(25)24-17(26)11-20(3,27)14-7-5-4-6-8-14;1-13-10-15-18(22-12-13)25(14-6-5-7-14)19(23-15)24-17(26)11-20(2,27)16-8-3-4-9-21-16/h2-4,6-7,12-13,15,17,29H,5,8-11,14H2,1H3,(H,25,26,28);4-10,13,27H,11-12H2,1-3H3,(H,22,24,26);3-4,8-10,12,14,27H,5-7,11H2,1-2H3,(H,23,24,26)/t23-;2*20-/m111/s1.
What are the key properties of (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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?
(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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 has a molecular weight of 1142.81 g/mol, XLogP of 11.34, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-5-cyclopropylimidazo[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 is sourced from PubChem (CID 161333538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).