(3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide

C21H24N4O2 — CID 130359634

IUPAC(3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
SMILESCc1ccnc2c1nc(NC(=O)C[C@](C)(O)c1ccccc1)n2C1CCC1
InChIInChI=1S/C21H24N4O2/c1-14-11-12-22-19-18(14)24-20(25(19)16-9-6-10-16)23-17(26)13-21(2,27)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26)/t21-/m0/s1
InChIKeyPTCMNMRWRUPYJR-NRFANRHFSA-N
MW364.45 g/mol
LogP3.70
Rot. Bonds5

About (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide

(3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide (PubChem CID 130359634) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
PubChem CID130359634
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
SMILESCc1ccnc2c1nc(NC(=O)C[C@](C)(O)c1ccccc1)n2C1CCC1
InChIInChI=1S/C21H24N4O2/c1-14-11-12-22-19-18(14)24-20(25(19)16-9-6-10-16)23-17(26)13-21(2,27)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26)/t21-/m0/s1
InChIKeyPTCMNMRWRUPYJR-NRFANRHFSA-N
XLogP3.70
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide
CID 137393554
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
(3S)-N-(5-chloro-3-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359812
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
CID 161318238
N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 139487215
N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
CID 170109994
(3S)-N-[6-cyano-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3-hydroxy-3-phenylbutanamide
CID 129075729
(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
(3R)-N-(6-cyano-1-cyclobutyl-7-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 129075879
[3-cyclobutyl-2-(3,3-dimethylbutanoylamino)imidazo[4,5-b]pyridin-5-yl]carbamic acid
CID 118692468
(3R)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide
CID 130359765

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide (CID 130359634) is (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide is Cc1ccnc2c1nc(NC(=O)C[C@](C)(O)c1ccccc1)n2C1CCC1.
What is the InChIKey of (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is PTCMNMRWRUPYJR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-11-12-22-19-18(14)24-20(25(19)16-9-6-10-16)23-17(26)13-21(2,27)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,27H,6,9-10,13H2,1-2H3,(H,23,24,26)/t21-/m0/s1.
What are the key properties of (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide?
(3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 364.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 130359634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).