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

C16H10BrN3 — CID 168925196

IUPAC6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline
SMILESBrc1ccc2c(-c3ccc4cnccc4c3)cnn2c1
InChIInChI=1S/C16H10BrN3/c17-14-3-4-16-15(9-19-20(16)10-14)12-1-2-13-8-18-6-5-11(13)7-12/h1-10H
InChIKeyMPZYYDLLHFBGEW-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.31
Rot. Bonds1

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

6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline (PubChem CID 168925196) has the molecular formula C16H10BrN3 and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline.

Molecular Properties

Compound Name6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline
PubChem CID168925196
Molecular FormulaC16H10BrN3
Molecular Weight324.18 g/mol
Exact Mass323.01
IUPAC Name6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline
SMILESBrc1ccc2c(-c3ccc4cnccc4c3)cnn2c1
InChIInChI=1S/C16H10BrN3/c17-14-3-4-16-15(9-19-20(16)10-14)12-1-2-13-8-18-6-5-11(13)7-12/h1-10H
InChIKeyMPZYYDLLHFBGEW-UHFFFAOYSA-N
XLogP4.31
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
6-bromo-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992708
4-(1-Phenyl-1H-pyrazol-4-YL)quinoline
CID 3525815
2-(4-Fluorophenyl)-5-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836050
2-(4-Fluorophenyl)-4-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879492
4-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879605
4-[3-(6-Bromo-pyridin-2-yl)-1H-pyrazol-4-yl]-quinoline
CID 10150095
2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline
CID 11594137
8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-2-(1-methyl-1H-pyrazol-5-yl)-1,6-naphthyridine
CID 118660621

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
The IUPAC name of 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline (CID 168925196) is 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline.
What is the SMILES notation for 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
The canonical SMILES for 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline is Brc1ccc2c(-c3ccc4cnccc4c3)cnn2c1.
What is the InChIKey of 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
The InChIKey is MPZYYDLLHFBGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3/c17-14-3-4-16-15(9-19-20(16)10-14)12-1-2-13-8-18-6-5-11(13)7-12/h1-10H.
What are the key properties of 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline?
6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline has a molecular weight of 324.18 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromopyrazolo[1,5-a]pyridin-3-yl)isoquinoline is sourced from PubChem (CID 168925196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).