(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide

C21H23FN4O2 — CID 130359690

IUPAC(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide
SMILESCc1cnc2c(c1)nc(NC(=O)C[C@](C)(O)c1ccccc1F)n2C1CCC1
InChIInChI=1S/C21H23FN4O2/c1-13-10-17-19(23-12-13)26(14-6-5-7-14)20(24-17)25-18(27)11-21(2,28)15-8-3-4-9-16(15)22/h3-4,8-10,12,14,28H,5-7,11H2,1-2H3,(H,24,25,27)/t21-/m0/s1
InChIKeyOVWRREVYQUBRJM-NRFANRHFSA-N
MW382.44 g/mol
LogP3.84
Rot. Bonds5

About (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-(2-fluorophenyl)-3-hydroxybutanamide (PubChem CID 130359690) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is (3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide
PubChem CID130359690
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name(3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide
SMILESCc1cnc2c(c1)nc(NC(=O)C[C@](C)(O)c1ccccc1F)n2C1CCC1
InChIInChI=1S/C21H23FN4O2/c1-13-10-17-19(23-12-13)26(14-6-5-7-14)20(24-17)25-18(27)11-21(2,28)15-8-3-4-9-16(15)22/h3-4,8-10,12,14,28H,5-7,11H2,1-2H3,(H,24,25,27)/t21-/m0/s1
InChIKeyOVWRREVYQUBRJM-NRFANRHFSA-N
XLogP3.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide?
The IUPAC name of (3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide (CID 130359690) is (3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide.
What is the SMILES notation for (3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide?
The canonical SMILES for (3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide is Cc1cnc2c(c1)nc(NC(=O)C[C@](C)(O)c1ccccc1F)n2C1CCC1.
What is the InChIKey of (3S)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide?
The InChIKey is OVWRREVYQUBRJM-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-10-17-19(23-12-13)26(14-6-5-7-14)20(24-17)25-18(27)11-21(2,28)15-8-3-4-9-16(15)22/h3-4,8-10,12,14,28H,5-7,11H2,1-2H3,(H,24,25,27)/t21-/m0/s1.
What are the key properties of (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-(2-fluorophenyl)-3-hydroxybutanamide has a molecular weight of 382.44 g/mol, XLogP of 3.84, 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-6-methylimidazo[4,5-b]pyridin-2-yl)-3-(2-fluorophenyl)-3-hydroxybutanamide is sourced from PubChem (CID 130359690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).