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

C21H16ClN7O3 — CID 139487281

IUPAC2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C21H16ClN7O3/c22-15-3-4-27-12-24-17(18(27)5-15)7-23-20(30)14-6-25-29(9-14)11-16-10-28-8-13(21(31)32)1-2-19(28)26-16/h1-6,8-10,12H,7,11H2,(H,23,30)(H,31,32)
InChIKeyUAGJOEGYSOYONU-UHFFFAOYSA-N
MW449.86 g/mol
LogP2.51
Rot. Bonds6

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

2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 139487281) has the molecular formula C21H16ClN7O3 and a molecular weight of 449.86 g/mol. Its IUPAC name is 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID139487281
Molecular FormulaC21H16ClN7O3
Molecular Weight449.86 g/mol
Exact Mass449.10
IUPAC Name2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn2c1
InChIInChI=1S/C21H16ClN7O3/c22-15-3-4-27-12-24-17(18(27)5-15)7-23-20(30)14-6-25-29(9-14)11-16-10-28-8-13(21(31)32)1-2-19(28)26-16/h1-6,8-10,12H,7,11H2,(H,23,30)(H,31,32)
InChIKeyUAGJOEGYSOYONU-UHFFFAOYSA-N
XLogP2.51
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 139487281) is 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)cc45)cn3)cn2c1.
What is the InChIKey of 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is UAGJOEGYSOYONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN7O3/c22-15-3-4-27-12-24-17(18(27)5-15)7-23-20(30)14-6-25-29(9-14)11-16-10-28-8-13(21(31)32)1-2-19(28)26-16/h1-6,8-10,12H,7,11H2,(H,23,30)(H,31,32).
What are the key properties of 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 449.86 g/mol, XLogP of 2.51, 6 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]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 139487281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).