2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile

C24H17FN6O — CID 123671816

IUPAC2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESCn1c(=O)[nH]c2c(Cc3cnn(-c4ccc(F)cc4)c3)cc(-c3ccccc3C#N)nc21
InChIInChI=1S/C24H17FN6O/c1-30-23-22(29-24(30)32)17(11-21(28-23)20-5-3-2-4-16(20)12-26)10-15-13-27-31(14-15)19-8-6-18(25)7-9-19/h2-9,11,13-14H,10H2,1H3,(H,29,32)
InChIKeyNSUCFVFHNNNABD-UHFFFAOYSA-N
MW424.44 g/mol
LogP3.72
Rot. Bonds4

About 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile

2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile (PubChem CID 123671816) has the molecular formula C24H17FN6O and a molecular weight of 424.44 g/mol. Its IUPAC name is 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile
PubChem CID123671816
Molecular FormulaC24H17FN6O
Molecular Weight424.44 g/mol
Exact Mass424.14
IUPAC Name2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile
SMILESCn1c(=O)[nH]c2c(Cc3cnn(-c4ccc(F)cc4)c3)cc(-c3ccccc3C#N)nc21
InChIInChI=1S/C24H17FN6O/c1-30-23-22(29-24(30)32)17(11-21(28-23)20-5-3-2-4-16(20)12-26)10-15-13-27-31(14-15)19-8-6-18(25)7-9-19/h2-9,11,13-14H,10H2,1H3,(H,29,32)
InChIKeyNSUCFVFHNNNABD-UHFFFAOYSA-N
XLogP3.72
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The IUPAC name of 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile (CID 123671816) is 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The canonical SMILES for 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile is Cn1c(=O)[nH]c2c(Cc3cnn(-c4ccc(F)cc4)c3)cc(-c3ccccc3C#N)nc21.
What is the InChIKey of 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile?
The InChIKey is NSUCFVFHNNNABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O/c1-30-23-22(29-24(30)32)17(11-21(28-23)20-5-3-2-4-16(20)12-26)10-15-13-27-31(14-15)19-8-6-18(25)7-9-19/h2-9,11,13-14H,10H2,1H3,(H,29,32).
What are the key properties of 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile?
2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile has a molecular weight of 424.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 123671816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).