(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide

C22H25ClN4O2 — CID 130359679

IUPAC(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide
SMILESCc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)nc3n2C2(C)CCC2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-14-5-7-15(8-6-14)22(3,29)13-18(28)26-20-24-16-9-10-17(23)25-19(16)27(20)21(2)11-4-12-21/h5-10,29H,4,11-13H2,1-3H3,(H,24,26,28)/t22-/m0/s1
InChIKeyRTEUXLZVZGYOMU-QFIPXVFZSA-N
MW412.92 g/mol
LogP4.53
Rot. Bonds5

About (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide

(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide (PubChem CID 130359679) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide
PubChem CID130359679
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide
SMILESCc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)nc3n2C2(C)CCC2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-14-5-7-15(8-6-14)22(3,29)13-18(28)26-20-24-16-9-10-17(23)25-19(16)27(20)21(2)11-4-12-21/h5-10,29H,4,11-13H2,1-3H3,(H,24,26,28)/t22-/m0/s1
InChIKeyRTEUXLZVZGYOMU-QFIPXVFZSA-N
XLogP4.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359666
(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;(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide;(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(3-methylphenyl)butanamide;(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-(4-methylphenyl)butanamide;3,3-dimethyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 159761719
(3S)-N-(3-tert-butyl-5-chloroimidazo[4,5-b]pyridin-2-yl)-3-(4-fluorophenyl)-3-hydroxybutanamide
CID 130361339
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130361425
3-(fluoromethyl)-3-hydroxy-N-[6-methyl-1-(1-methylcyclobutyl)benzimidazol-2-yl]pentanamide
CID 129064921
(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
2-(1-bicyclo[1.1.1]pentanyl)-N-[6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]acetamide
CID 139487167
(3S)-N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
CID 129075695
N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 139487111
N-[6,7-difluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 129075684

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide?
The IUPAC name of (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide (CID 130359679) is (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide.
What is the SMILES notation for (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide?
The canonical SMILES for (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide is Cc1ccc([C@@](C)(O)CC(=O)Nc2nc3ccc(Cl)nc3n2C2(C)CCC2)cc1.
What is the InChIKey of (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide?
The InChIKey is RTEUXLZVZGYOMU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-14-5-7-15(8-6-14)22(3,29)13-18(28)26-20-24-16-9-10-17(23)25-19(16)27(20)21(2)11-4-12-21/h5-10,29H,4,11-13H2,1-3H3,(H,24,26,28)/t22-/m0/s1.
What are the key properties of (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide?
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide has a molecular weight of 412.92 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide is sourced from PubChem (CID 130359679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).