4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline

C17H11BrN4 — CID 177329527

IUPAC4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline
SMILESBrc1cnc(-n2cc(-c3cccnc3)cn2)c2ccccc12
InChIInChI=1S/C17H11BrN4/c18-16-10-20-17(15-6-2-1-5-14(15)16)22-11-13(9-21-22)12-4-3-7-19-8-12/h1-11H
InChIKeyHHHQZGIQNAJGER-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.24
Rot. Bonds2

About 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline

4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline (PubChem CID 177329527) has the molecular formula C17H11BrN4 and a molecular weight of 351.21 g/mol. Its IUPAC name is 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline.

Molecular Properties

Compound Name4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline
PubChem CID177329527
Molecular FormulaC17H11BrN4
Molecular Weight351.21 g/mol
Exact Mass350.02
IUPAC Name4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline
SMILESBrc1cnc(-n2cc(-c3cccnc3)cn2)c2ccccc12
InChIInChI=1S/C17H11BrN4/c18-16-10-20-17(15-6-2-1-5-14(15)16)22-11-13(9-21-22)12-4-3-7-19-8-12/h1-11H
InChIKeyHHHQZGIQNAJGER-UHFFFAOYSA-N
XLogP4.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
4-[(1E)-{2-[1-(3-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 91050334
1-(3-bromophenyl)-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604931
2-benzyl-7-(2-bromophenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 16012938
5-[(E)-2-phenylethenyl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 162650054
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
CID 9999740
2-(5-Bromo-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 44380594
5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 44408691
4-[1-(4-Fluorophenyl)pyrazolo[3,4-b]pyridin-4-yl]isoquinoline
CID 69094244
4-(7-Fluoro-[1,2,4] triazolo[1,5-a]pyridin-2-yl)isoquinoline
CID 71506893
4-(6-Fluoro-[1,2,4] triazolo[1,5-a]pyridin-2-yl)isoquinoline
CID 71538423
6-bromo-N-pyrimidin-4-ylisoquinolin-3-amine
CID 49831052

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline?
The IUPAC name of 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline (CID 177329527) is 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline.
What is the SMILES notation for 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline?
The canonical SMILES for 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline is Brc1cnc(-n2cc(-c3cccnc3)cn2)c2ccccc12.
What is the InChIKey of 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline?
The InChIKey is HHHQZGIQNAJGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4/c18-16-10-20-17(15-6-2-1-5-14(15)16)22-11-13(9-21-22)12-4-3-7-19-8-12/h1-11H.
What are the key properties of 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline?
4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline has a molecular weight of 351.21 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-pyridin-3-ylpyrazol-1-yl)isoquinoline is sourced from PubChem (CID 177329527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).