N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

C22H25ClN4O3 — CID 167288244

IUPACN-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESCOc1cc(Cl)nc2c1nc(NC(=O)CC(C)(O)c1ccccc1)n2C1(C)CCC1
InChIInChI=1S/C22H25ClN4O3/c1-21(10-7-11-21)27-19-18(15(30-3)12-16(23)24-19)26-20(27)25-17(28)13-22(2,29)14-8-5-4-6-9-14/h4-6,8-9,12,29H,7,10-11,13H2,1-3H3,(H,25,26,28)
InChIKeyLCFJEIKFHZYWGV-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.23
Rot. Bonds6

About N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (PubChem CID 167288244) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
PubChem CID167288244
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESCOc1cc(Cl)nc2c1nc(NC(=O)CC(C)(O)c1ccccc1)n2C1(C)CCC1
InChIInChI=1S/C22H25ClN4O3/c1-21(10-7-11-21)27-19-18(15(30-3)12-16(23)24-19)26-20(27)25-17(28)13-22(2,29)14-8-5-4-6-9-14/h4-6,8-9,12,29H,7,10-11,13H2,1-3H3,(H,25,26,28)
InChIKeyLCFJEIKFHZYWGV-UHFFFAOYSA-N
XLogP4.23
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(5-chloro-3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359812
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359666
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-(4-methylphenyl)butanamide
CID 130359679
N-[7-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 139487111
8-(5-chloro-3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)-2-hydroxy-2-phenyloctan-4-one
CID 139518194
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
(3S)-N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
CID 129075695
N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 139487215
N-[6-cyano-1-(1-methylcyclobutyl)benzimidazol-2-yl]-4-fluoro-3-hydroxy-3-phenylbutanamide
CID 129075721
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110025035
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130361425
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 137393658

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (CID 167288244) is N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide is COc1cc(Cl)nc2c1nc(NC(=O)CC(C)(O)c1ccccc1)n2C1(C)CCC1.
What is the InChIKey of N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is LCFJEIKFHZYWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-21(10-7-11-21)27-19-18(15(30-3)12-16(23)24-19)26-20(27)25-17(28)13-22(2,29)14-8-5-4-6-9-14/h4-6,8-9,12,29H,7,10-11,13H2,1-3H3,(H,25,26,28).
What are the key properties of N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 428.92 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-7-methoxy-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 167288244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).