2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

C20H19N5O2 — CID 122198009

IUPAC2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C20H19N5O2/c1-12-16(9-19(26)27)13(2)25(24-12)11-14-3-5-15(6-4-14)20-22-17-7-8-21-10-18(17)23-20/h3-8,10H,9,11H2,1-2H3,(H,22,23)(H,26,27)
InChIKeyOFVBVIJXRYSOQH-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.11
Rot. Bonds5

About 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 122198009) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID122198009
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2)c(C)c1CC(=O)O
InChIInChI=1S/C20H19N5O2/c1-12-16(9-19(26)27)13(2)25(24-12)11-14-3-5-15(6-4-14)20-22-17-7-8-21-10-18(17)23-20/h3-8,10H,9,11H2,1-2H3,(H,22,23)(H,26,27)
InChIKeyOFVBVIJXRYSOQH-UHFFFAOYSA-N
XLogP3.11
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid 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-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid (CID 122198009) is 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1nn(Cc2ccc(-c3nc4ccncc4[nH]3)cc2)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is OFVBVIJXRYSOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-16(9-19(26)27)13(2)25(24-12)11-14-3-5-15(6-4-14)20-22-17-7-8-21-10-18(17)23-20/h3-8,10H,9,11H2,1-2H3,(H,22,23)(H,26,27).
What are the key properties of 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 361.41 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 122198009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).