2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid

C24H20ClN7O3 — CID 139487608

IUPAC2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C(=O)O)c3n2)c1
InChIInChI=1S/C24H20ClN7O3/c25-17-3-4-30-13-27-20(21(30)6-17)8-26-23(33)16-7-28-32(10-16)12-18-11-31-9-15(14-1-2-14)5-19(24(34)35)22(31)29-18/h3-7,9-11,13-14H,1-2,8,12H2,(H,26,33)(H,34,35)
InChIKeyZGDVXEJFDAKWKP-UHFFFAOYSA-N
MW489.92 g/mol
LogP3.39
Rot. Bonds7

About 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid

2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 139487608) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID139487608
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC Name2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C(=O)O)c3n2)c1
InChIInChI=1S/C24H20ClN7O3/c25-17-3-4-30-13-27-20(21(30)6-17)8-26-23(33)16-7-28-32(10-16)12-18-11-31-9-15(14-1-2-14)5-19(24(34)35)22(31)29-18/h3-7,9-11,13-14H,1-2,8,12H2,(H,26,33)(H,34,35)
InChIKeyZGDVXEJFDAKWKP-UHFFFAOYSA-N
XLogP3.39
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.92
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid (CID 139487608) is 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid is O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cc(C4CC4)cc(C(=O)O)c3n2)c1.
What is the InChIKey of 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is ZGDVXEJFDAKWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c25-17-3-4-30-13-27-20(21(30)6-17)8-26-23(33)16-7-28-32(10-16)12-18-11-31-9-15(14-1-2-14)5-19(24(34)35)22(31)29-18/h3-7,9-11,13-14H,1-2,8,12H2,(H,26,33)(H,34,35).
What are the key properties of 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid?
2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 489.92 g/mol, XLogP of 3.39, 7 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]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 139487608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).