1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid

C18H17ClN4O2 — CID 89440936

IUPAC1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C18H17ClN4O2/c19-12-4-6-13(7-5-12)23-16-11-20-9-8-14(16)17(21-23)22-10-2-1-3-15(22)18(24)25/h4-9,11,15H,1-3,10H2,(H,24,25)
InChIKeyCRFNWEXEONBJFL-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.52
Rot. Bonds3

About 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid

1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid (PubChem CID 89440936) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid
PubChem CID89440936
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12
InChIInChI=1S/C18H17ClN4O2/c19-12-4-6-13(7-5-12)23-16-11-20-9-8-14(16)17(21-23)22-10-2-1-3-15(22)18(24)25/h4-9,11,15H,1-3,10H2,(H,24,25)
InChIKeyCRFNWEXEONBJFL-UHFFFAOYSA-N
XLogP3.52
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid (CID 89440936) is 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1nn(-c2ccc(Cl)cc2)c2cnccc12.
What is the InChIKey of 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
The InChIKey is CRFNWEXEONBJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-12-4-6-13(7-5-12)23-16-11-20-9-8-14(16)17(21-23)22-10-2-1-3-15(22)18(24)25/h4-9,11,15H,1-3,10H2,(H,24,25).
What are the key properties of 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid?
1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid has a molecular weight of 356.81 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-2-carboxylic acid is sourced from PubChem (CID 89440936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).