1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid

C18H10ClN5O2 — CID 134178147

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESN#Cc1cc2c(C(=O)O)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
InChIInChI=1S/C18H10ClN5O2/c19-12-4-11-3-10(1-2-15(11)22-7-12)9-24-16-8-21-13(6-20)5-14(16)17(23-24)18(25)26/h1-5,7-8H,9H2,(H,25,26)
InChIKeyHJBILZZCLIFBOD-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.25
Rot. Bonds3

About 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid

1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 134178147) has the molecular formula C18H10ClN5O2 and a molecular weight of 363.76 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID134178147
Molecular FormulaC18H10ClN5O2
Molecular Weight363.76 g/mol
Exact Mass363.05
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESN#Cc1cc2c(C(=O)O)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
InChIInChI=1S/C18H10ClN5O2/c19-12-4-11-3-10(1-2-15(11)22-7-12)9-24-16-8-21-13(6-20)5-14(16)17(23-24)18(25)26/h1-5,7-8H,9H2,(H,25,26)
InChIKeyHJBILZZCLIFBOD-UHFFFAOYSA-N
XLogP3.25
TPSA104.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 134178147) is 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid is N#Cc1cc2c(C(=O)O)nn(Cc3ccc4ncc(Cl)cc4c3)c2cn1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is HJBILZZCLIFBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClN5O2/c19-12-4-11-3-10(1-2-15(11)22-7-12)9-24-16-8-21-13(6-20)5-14(16)17(23-24)18(25)26/h1-5,7-8H,9H2,(H,25,26).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid?
1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 363.76 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-5-cyanopyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 134178147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).