4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile

C22H19ClN6 — CID 138743550

IUPAC4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1cnc(-c2cc(Cl)ccc2C#N)cn1
InChIInChI=1S/C22H19ClN6/c1-4-20-28-21-13(2)7-14(3)27-22(21)29(20)12-17-10-26-19(11-25-17)18-8-16(23)6-5-15(18)9-24/h5-8,10-11H,4,12H2,1-3H3
InChIKeyCNEJCBWEZWVTKH-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.64
Rot. Bonds4

About 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile

4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile (PubChem CID 138743550) has the molecular formula C22H19ClN6 and a molecular weight of 402.89 g/mol. Its IUPAC name is 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile
PubChem CID138743550
Molecular FormulaC22H19ClN6
Molecular Weight402.89 g/mol
Exact Mass402.14
IUPAC Name4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile
SMILESCCc1nc2c(C)cc(C)nc2n1Cc1cnc(-c2cc(Cl)ccc2C#N)cn1
InChIInChI=1S/C22H19ClN6/c1-4-20-28-21-13(2)7-14(3)27-22(21)29(20)12-17-10-26-19(11-25-17)18-8-16(23)6-5-15(18)9-24/h5-8,10-11H,4,12H2,1-3H3
InChIKeyCNEJCBWEZWVTKH-UHFFFAOYSA-N
XLogP4.64
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-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 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile?
The IUPAC name of 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile (CID 138743550) is 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile?
The canonical SMILES for 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile is CCc1nc2c(C)cc(C)nc2n1Cc1cnc(-c2cc(Cl)ccc2C#N)cn1.
What is the InChIKey of 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile?
The InChIKey is CNEJCBWEZWVTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6/c1-4-20-28-21-13(2)7-14(3)27-22(21)29(20)12-17-10-26-19(11-25-17)18-8-16(23)6-5-15(18)9-24/h5-8,10-11H,4,12H2,1-3H3.
What are the key properties of 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile?
4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile has a molecular weight of 402.89 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]pyrazin-2-yl]benzonitrile is sourced from PubChem (CID 138743550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).