6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline

C17H13N3 — CID 166359995

IUPAC6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline
SMILESCc1nn2ccccc2c1-c1ccc2cnccc2c1
InChIInChI=1S/C17H13N3/c1-12-17(16-4-2-3-9-20(16)19-12)14-5-6-15-11-18-8-7-13(15)10-14/h2-11H,1H3
InChIKeyCCPYAKTYKNQXOC-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.86
Rot. Bonds1

About 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline

6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline (PubChem CID 166359995) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline.

Molecular Properties

Compound Name6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline
PubChem CID166359995
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline
SMILESCc1nn2ccccc2c1-c1ccc2cnccc2c1
InChIInChI=1S/C17H13N3/c1-12-17(16-4-2-3-9-20(16)19-12)14-5-6-15-11-18-8-7-13(15)10-14/h2-11H,1H3
InChIKeyCCPYAKTYKNQXOC-UHFFFAOYSA-N
XLogP3.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ly-364947
CID 447966
Besipirdine
CID 60691
Nerispirdine
CID 3081185
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Cyano-2-(4-fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9922847
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Dihydropyrrolopyrazole, 7d
CID 9946092
Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859
Indol-1-yl-methyl-pyridin-4-yl-amine
CID 10799123
Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
The IUPAC name of 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline (CID 166359995) is 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline.
What is the SMILES notation for 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
The canonical SMILES for 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline is Cc1nn2ccccc2c1-c1ccc2cnccc2c1.
What is the InChIKey of 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
The InChIKey is CCPYAKTYKNQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c1-12-17(16-4-2-3-9-20(16)19-12)14-5-6-15-11-18-8-7-13(15)10-14/h2-11H,1H3.
What are the key properties of 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline has a molecular weight of 259.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)isoquinoline is sourced from PubChem (CID 166359995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).