1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid

C16H17ClN4O2 — CID 57402583

IUPAC1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2nc(C(C)C)cn12
InChIInChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-12(5-11(17)6-15(20)18-14)7-21-10(3)4-13(19-21)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23)
InChIKeyIFKCZJOICRGQGI-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.36
Rot. Bonds4

About 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid

1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 57402583) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID57402583
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2nc(C(C)C)cn12
InChIInChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-12(5-11(17)6-15(20)18-14)7-21-10(3)4-13(19-21)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23)
InChIKeyIFKCZJOICRGQGI-UHFFFAOYSA-N
XLogP3.36
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid (CID 57402583) is 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2nc(C(C)C)cn12.
What is the InChIKey of 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is IFKCZJOICRGQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-12(5-11(17)6-15(20)18-14)7-21-10(3)4-13(19-21)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23).
What are the key properties of 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 57402583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).