2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid

C27H24ClN7O3 — CID 139487395

IUPAC2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1CC1C(=O)O
InChIInChI=1S/C27H24ClN7O3/c28-17-5-6-33-14-30-22(23(33)7-17)9-29-26(36)21-13-35(32-25(21)19-8-20(19)27(37)38)12-18-11-34-10-16(15-1-2-15)3-4-24(34)31-18/h3-7,10-11,13-15,19-20H,1-2,8-9,12H2,(H,29,36)(H,37,38)
InChIKeyMQLHVRWOMGYXOC-UHFFFAOYSA-N
MW529.99 g/mol
LogP3.88
Rot. Bonds8

About 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid

2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid (PubChem CID 139487395) has the molecular formula C27H24ClN7O3 and a molecular weight of 529.99 g/mol. Its IUPAC name is 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid
PubChem CID139487395
Molecular FormulaC27H24ClN7O3
Molecular Weight529.99 g/mol
Exact Mass529.16
IUPAC Name2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1CC1C(=O)O
InChIInChI=1S/C27H24ClN7O3/c28-17-5-6-33-14-30-22(23(33)7-17)9-29-26(36)21-13-35(32-25(21)19-8-20(19)27(37)38)12-18-11-34-10-16(15-1-2-15)3-4-24(34)31-18/h3-7,10-11,13-15,19-20H,1-2,8-9,12H2,(H,29,36)(H,37,38)
InChIKeyMQLHVRWOMGYXOC-UHFFFAOYSA-N
XLogP3.88
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.99
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-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-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid (CID 139487395) is 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid is O=C(NCc1ncn2ccc(Cl)cc12)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nc1C1CC1C(=O)O.
What is the InChIKey of 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid?
The InChIKey is MQLHVRWOMGYXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN7O3/c28-17-5-6-33-14-30-22(23(33)7-17)9-29-26(36)21-13-35(32-25(21)19-8-20(19)27(37)38)12-18-11-34-10-16(15-1-2-15)3-4-24(34)31-18/h3-7,10-11,13-15,19-20H,1-2,8-9,12H2,(H,29,36)(H,37,38).
What are the key properties of 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid?
2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid has a molecular weight of 529.99 g/mol, XLogP of 3.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-3-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 139487395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).