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

C20H15ClN4O2 — CID 135308170

IUPAC2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CCc4ccc(Cl)cc4)c3cn2)c1
InChIInChI=1S/C20H15ClN4O2/c21-16-3-1-13(2-4-16)6-8-25-19-12-23-18(10-15(19)11-24-25)17-9-14(20(26)27)5-7-22-17/h1-5,7,9-12H,6,8H2,(H,26,27)
InChIKeyYFBMXQMJZOHBMQ-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.09
Rot. Bonds5

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

2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (PubChem CID 135308170) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
PubChem CID135308170
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3cnn(CCc4ccc(Cl)cc4)c3cn2)c1
InChIInChI=1S/C20H15ClN4O2/c21-16-3-1-13(2-4-16)6-8-25-19-12-23-18(10-15(19)11-24-25)17-9-14(20(26)27)5-7-22-17/h1-5,7,9-12H,6,8H2,(H,26,27)
InChIKeyYFBMXQMJZOHBMQ-UHFFFAOYSA-N
XLogP4.09
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid (CID 135308170) is 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3cnn(CCc4ccc(Cl)cc4)c3cn2)c1.
What is the InChIKey of 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
The InChIKey is YFBMXQMJZOHBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-16-3-1-13(2-4-16)6-8-25-19-12-23-18(10-15(19)11-24-25)17-9-14(20(26)27)5-7-22-17/h1-5,7,9-12H,6,8H2,(H,26,27).
What are the key properties of 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid?
2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid has a molecular weight of 378.82 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135308170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).