3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C13H12ClN3O3 — CID 136583577

IUPAC3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)C1)c1cnn2cccc(Cl)c12
InChIInChI=1S/C13H12ClN3O3/c14-10-2-1-3-17-11(10)9(6-15-17)12(18)16-8-4-7(5-8)13(19)20/h1-3,6-8H,4-5H2,(H,16,18)(H,19,20)
InChIKeyWYHPZKLQYMVCTD-UHFFFAOYSA-N
MW293.71 g/mol
LogP1.58
Rot. Bonds3

About 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 136583577) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID136583577
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)C1)c1cnn2cccc(Cl)c12
InChIInChI=1S/C13H12ClN3O3/c14-10-2-1-3-17-11(10)9(6-15-17)12(18)16-8-4-7(5-8)13(19)20/h1-3,6-8H,4-5H2,(H,16,18)(H,19,20)
InChIKeyWYHPZKLQYMVCTD-UHFFFAOYSA-N
XLogP1.58
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]piperidine-1-carboxylate
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3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
N-[8-(2-fluorobutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrazolo[1,5-a]pyridine-3-carboxamide
CID 167802181
4-methyl-N-[1-(2-methylsulfanylethyl)piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
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4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166261765
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676932
N-(5-methylpiperidin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 107585040
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
4-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524602
cis-(1R,3S)-3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 136583577) is 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1CC(C(=O)O)C1)c1cnn2cccc(Cl)c12.
What is the InChIKey of 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is WYHPZKLQYMVCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c14-10-2-1-3-17-11(10)9(6-15-17)12(18)16-8-4-7(5-8)13(19)20/h1-3,6-8H,4-5H2,(H,16,18)(H,19,20).
What are the key properties of 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 293.71 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloropyrazolo[1,5-a]pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 136583577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).