3-isoquinolin-3-yl-1H-indazole-5-carbonitrile

C17H10N4 — CID 68905728

IUPAC3-isoquinolin-3-yl-1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]nc(-c3cc4ccccc4cn3)c2c1
InChIInChI=1S/C17H10N4/c18-9-11-5-6-15-14(7-11)17(21-20-15)16-8-12-3-1-2-4-13(12)10-19-16/h1-8,10H,(H,20,21)
InChIKeyIUVNPQAYHMDUHF-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.65
Rot. Bonds1

About 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile

3-isoquinolin-3-yl-1H-indazole-5-carbonitrile (PubChem CID 68905728) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile.

Molecular Properties

Compound Name3-isoquinolin-3-yl-1H-indazole-5-carbonitrile
PubChem CID68905728
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name3-isoquinolin-3-yl-1H-indazole-5-carbonitrile
SMILESN#Cc1ccc2[nH]nc(-c3cc4ccccc4cn3)c2c1
InChIInChI=1S/C17H10N4/c18-9-11-5-6-15-14(7-11)17(21-20-15)16-8-12-3-1-2-4-13(12)10-19-16/h1-8,10H,(H,20,21)
InChIKeyIUVNPQAYHMDUHF-UHFFFAOYSA-N
XLogP3.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile?
The IUPAC name of 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile (CID 68905728) is 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile.
What is the SMILES notation for 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile?
The canonical SMILES for 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile is N#Cc1ccc2[nH]nc(-c3cc4ccccc4cn3)c2c1.
What is the InChIKey of 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile?
The InChIKey is IUVNPQAYHMDUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-9-11-5-6-15-14(7-11)17(21-20-15)16-8-12-3-1-2-4-13(12)10-19-16/h1-8,10H,(H,20,21).
What are the key properties of 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile?
3-isoquinolin-3-yl-1H-indazole-5-carbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-3-yl-1H-indazole-5-carbonitrile is sourced from PubChem (CID 68905728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).