6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid

C17H15ClN4O2 — CID 167978033

IUPAC6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
SMILESCc1c(Cl)ccc2ccc(N3Cc4[nH]ncc4CC3C(=O)O)nc12
InChIInChI=1S/C17H15ClN4O2/c1-9-12(18)4-2-10-3-5-15(20-16(9)10)22-8-13-11(7-19-21-13)6-14(22)17(23)24/h2-5,7,14H,6,8H2,1H3,(H,19,21)(H,23,24)
InChIKeyTVTFKXWXATZFOK-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.94
Rot. Bonds2

About 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid

6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid (PubChem CID 167978033) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
PubChem CID167978033
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
SMILESCc1c(Cl)ccc2ccc(N3Cc4[nH]ncc4CC3C(=O)O)nc12
InChIInChI=1S/C17H15ClN4O2/c1-9-12(18)4-2-10-3-5-15(20-16(9)10)22-8-13-11(7-19-21-13)6-14(22)17(23)24/h2-5,7,14H,6,8H2,1H3,(H,19,21)(H,23,24)
InChIKeyTVTFKXWXATZFOK-UHFFFAOYSA-N
XLogP2.94
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
The IUPAC name of 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid (CID 167978033) is 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
The canonical SMILES for 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid is Cc1c(Cl)ccc2ccc(N3Cc4[nH]ncc4CC3C(=O)O)nc12.
What is the InChIKey of 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
The InChIKey is TVTFKXWXATZFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-9-12(18)4-2-10-3-5-15(20-16(9)10)22-8-13-11(7-19-21-13)6-14(22)17(23)24/h2-5,7,14H,6,8H2,1H3,(H,19,21)(H,23,24).
What are the key properties of 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid?
6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid has a molecular weight of 342.79 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 167978033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).