4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile

C18H17FN4 — CID 94758757

IUPAC4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
SMILESCc1cnc2c(c1)nc(Cc1ccc(F)cc1)n2CCCC#N
InChIInChI=1S/C18H17FN4/c1-13-10-16-18(21-12-13)23(9-3-2-8-20)17(22-16)11-14-4-6-15(19)7-5-14/h4-7,10,12H,2-3,9,11H2,1H3
InChIKeyFKSCRQXONGLHQL-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.77
Rot. Bonds5

About 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile

4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile (PubChem CID 94758757) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
PubChem CID94758757
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
SMILESCc1cnc2c(c1)nc(Cc1ccc(F)cc1)n2CCCC#N
InChIInChI=1S/C18H17FN4/c1-13-10-16-18(21-12-13)23(9-3-2-8-20)17(22-16)11-14-4-6-15(19)7-5-14/h4-7,10,12H,2-3,9,11H2,1H3
InChIKeyFKSCRQXONGLHQL-UHFFFAOYSA-N
XLogP3.77
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 82143536
4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 82151993
3-[2-[(4-methoxyphenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209647
3-[6-methyl-2-(2-phenoxyethyl)imidazo[4,5-b]pyridin-3-yl]propanenitrile
CID 94745988
4-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]butanenitrile
CID 94758775
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-ol
CID 82150914
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
3-[5,6-difluoro-2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]propan-1-ol
CID 94756244
4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150674
3-(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061543
3-(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)propanenitrile
CID 82143553
4-(6-chloro-2-pentan-3-ylimidazo[4,5-b]pyridin-3-yl)butanenitrile
CID 82152005

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
The IUPAC name of 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile (CID 94758757) is 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile is Cc1cnc2c(c1)nc(Cc1ccc(F)cc1)n2CCCC#N.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
The InChIKey is FKSCRQXONGLHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c1-13-10-16-18(21-12-13)23(9-3-2-8-20)17(22-16)11-14-4-6-15(19)7-5-14/h4-7,10,12H,2-3,9,11H2,1H3.
What are the key properties of 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile has a molecular weight of 308.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile is sourced from PubChem (CID 94758757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).