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

C18H17ClN4 — CID 82151993

IUPAC4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
SMILESCc1cnc2c(c1)nc(Cc1ccc(Cl)cc1)n2CCCC#N
InChIInChI=1S/C18H17ClN4/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
InChIKeyJZUNIZKORKSWAE-UHFFFAOYSA-N
MW324.82 g/mol
LogP4.29
Rot. Bonds5

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

4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile (PubChem CID 82151993) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
PubChem CID82151993
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC Name4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile
SMILESCc1cnc2c(c1)nc(Cc1ccc(Cl)cc1)n2CCCC#N
InChIInChI=1S/C18H17ClN4/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
InChIKeyJZUNIZKORKSWAE-UHFFFAOYSA-N
XLogP4.29
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
The IUPAC name of 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile (CID 82151993) is 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
The canonical SMILES for 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile is Cc1cnc2c(c1)nc(Cc1ccc(Cl)cc1)n2CCCC#N.
What is the InChIKey of 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
The InChIKey is JZUNIZKORKSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/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-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile?
4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile has a molecular weight of 324.82 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)methyl]-6-methylimidazo[4,5-b]pyridin-3-yl]butanenitrile is sourced from PubChem (CID 82151993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).