1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid

C16H17ClN4O2 — CID 57399015

IUPAC1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cn2cc(C(C)C)nc12
InChIInChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-7-12(17)5-11(15(20)18-14)6-21-10(3)4-13(19-21)16(22)23/h4-5,7-9H,6H2,1-3H3,(H,22,23)
InChIKeyFAYBEERSGKWHSO-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.36
Rot. Bonds4

About 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid

1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid (PubChem CID 57399015) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
PubChem CID57399015
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1Cc1cc(Cl)cn2cc(C(C)C)nc12
InChIInChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-7-12(17)5-11(15(20)18-14)6-21-10(3)4-13(19-21)16(22)23/h4-5,7-9H,6H2,1-3H3,(H,22,23)
InChIKeyFAYBEERSGKWHSO-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

Analyze 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-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

Related Compounds

7-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776201
7-(1,5-dimethyl-1H-pyrazol-4-yl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 4774543
7-(1-Ethyl-3-methyl-1H-pyrazol-4-yl)-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 4776266
1-[(6-Chloro-2-propan-2-ylindolizin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 57400734
1-[(7-Chloro-2-propan-2-ylimidazo[1,2-a]pyridin-5-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 57402583
3-Chloro-5-(1-ethyl-1H-pyrazol-3-YL)-2-methylpyrazolo[1,5-A]pyrimidine-7-carboxylic acid
CID 29097700
{[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)carbonyl]amino}(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 50955909
6-[2-[2-(Dimethylamino)-3-methylimidazol-4-yl]ethenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136549723
2-(4-Chlorophenyl)-6-[2-(3-methyltriazol-4-yl)ethenyl]pyrimidine-4-carboxylic acid
CID 154743984
5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 58505866
5-(7-Fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 58505928
2-(3-Chloropyridin-2-yl)-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]pyrazole-3-carboxylic acid
CID 58507435

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid (CID 57399015) is 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1Cc1cc(Cl)cn2cc(C(C)C)nc12.
What is the InChIKey of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
The InChIKey is FAYBEERSGKWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-9(2)14-8-20-7-12(17)5-11(15(20)18-14)6-21-10(3)4-13(19-21)16(22)23/h4-5,7-9H,6H2,1-3H3,(H,22,23).
What are the key properties of 1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid?
1-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-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-[(6-chloro-2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)methyl]-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 57399015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).