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

C24H20ClN7O3 — CID 139487852

IUPAC1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(C(=O)O)CC4)c3n2)c1
InChIInChI=1S/C24H20ClN7O3/c25-16-3-7-31-14-27-19(20(31)8-16)10-26-22(33)15-9-28-32(11-15)13-17-12-30-6-1-2-18(21(30)29-17)24(4-5-24)23(34)35/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,26,33)(H,34,35)
InChIKeyYSANTMLYNUNAJE-UHFFFAOYSA-N
MW489.92 g/mol
LogP2.93
Rot. Bonds7

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

1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid (PubChem CID 139487852) has the molecular formula C24H20ClN7O3 and a molecular weight of 489.92 g/mol. Its IUPAC name is 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid
PubChem CID139487852
Molecular FormulaC24H20ClN7O3
Molecular Weight489.92 g/mol
Exact Mass489.13
IUPAC Name1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid
SMILESO=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(C(=O)O)CC4)c3n2)c1
InChIInChI=1S/C24H20ClN7O3/c25-16-3-7-31-14-27-19(20(31)8-16)10-26-22(33)15-9-28-32(11-15)13-17-12-30-6-1-2-18(21(30)29-17)24(4-5-24)23(34)35/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,26,33)(H,34,35)
InChIKeyYSANTMLYNUNAJE-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid (CID 139487852) is 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid is O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(C(=O)O)CC4)c3n2)c1.
What is the InChIKey of 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid?
The InChIKey is YSANTMLYNUNAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O3/c25-16-3-7-31-14-27-19(20(31)8-16)10-26-22(33)15-9-28-32(11-15)13-17-12-30-6-1-2-18(21(30)29-17)24(4-5-24)23(34)35/h1-3,6-9,11-12,14H,4-5,10,13H2,(H,26,33)(H,34,35).
What are the key properties of 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid?
1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid has a molecular weight of 489.92 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 139487852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).