[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone

C19H20N4O — CID 46277321

IUPAC[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)cc1-n1c(C)nc2cccnc21
InChIInChI=1S/C19H20N4O/c1-13-7-8-15(19(24)22-10-3-4-11-22)12-17(13)23-14(2)21-16-6-5-9-20-18(16)23/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyCKHFOEJGGQOXMR-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.27
Rot. Bonds2

About [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 46277321) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID46277321
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC2)cc1-n1c(C)nc2cccnc21
InChIInChI=1S/C19H20N4O/c1-13-7-8-15(19(24)22-10-3-4-11-22)12-17(13)23-14(2)21-16-6-5-9-20-18(16)23/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyCKHFOEJGGQOXMR-UHFFFAOYSA-N
XLogP3.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone 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-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 46277321) is [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCC2)cc1-n1c(C)nc2cccnc21.
What is the InChIKey of [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is CKHFOEJGGQOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-7-8-15(19(24)22-10-3-4-11-22)12-17(13)23-14(2)21-16-6-5-9-20-18(16)23/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 46277321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).