2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid

C22H17ClN6O3 — CID 153430976

IUPAC2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C22H17ClN6O3/c23-16-5-6-27-13-24-18(19(27)7-16)2-3-20(30)15-8-25-29(10-15)12-17-11-28-9-14(22(31)32)1-4-21(28)26-17/h1,4-11,13H,2-3,12H2,(H,31,32)
InChIKeyYFPPOALKWYQKFM-UHFFFAOYSA-N
MW448.87 g/mol
LogP3.39
Rot. Bonds7

About 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid

2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 153430976) has the molecular formula C22H17ClN6O3 and a molecular weight of 448.87 g/mol. Its IUPAC name is 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID153430976
Molecular FormulaC22H17ClN6O3
Molecular Weight448.87 g/mol
Exact Mass448.11
IUPAC Name2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C22H17ClN6O3/c23-16-5-6-27-13-24-18(19(27)7-16)2-3-20(30)15-8-25-29(10-15)12-17-11-28-9-14(22(31)32)1-4-21(28)26-17/h1,4-11,13H,2-3,12H2,(H,31,32)
InChIKeyYFPPOALKWYQKFM-UHFFFAOYSA-N
XLogP3.39
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic 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-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 153430976) is 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)cn2c1.
What is the InChIKey of 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is YFPPOALKWYQKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O3/c23-16-5-6-27-13-24-18(19(27)7-16)2-3-20(30)15-8-25-29(10-15)12-17-11-28-9-14(22(31)32)1-4-21(28)26-17/h1,4-11,13H,2-3,12H2,(H,31,32).
What are the key properties of 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 448.87 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 153430976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).