5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline

C19H13N3S — CID 11404270

IUPAC5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1cc3ccccc3s1)c1ccccc12
InChIInChI=1S/C19H13N3S/c1-11-17-19(22-21-11)14-8-4-3-7-13(14)18(20-17)16-10-12-6-2-5-9-15(12)23-16/h2-10H,1H3,(H,21,22)
InChIKeyLKBKMWZCVRYWKU-UHFFFAOYSA-N
MW315.40 g/mol
LogP5.30
Rot. Bonds1

About 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline

5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (PubChem CID 11404270) has the molecular formula C19H13N3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
PubChem CID11404270
Molecular FormulaC19H13N3S
Molecular Weight315.40 g/mol
Exact Mass315.08
IUPAC Name5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline
SMILESCc1[nH]nc2c1nc(-c1cc3ccccc3s1)c1ccccc12
InChIInChI=1S/C19H13N3S/c1-11-17-19(22-21-11)14-8-4-3-7-13(14)18(20-17)16-10-12-6-2-5-9-15(12)23-16/h2-10H,1H3,(H,21,22)
InChIKeyLKBKMWZCVRYWKU-UHFFFAOYSA-N
XLogP5.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The IUPAC name of 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline (CID 11404270) is 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is Cc1[nH]nc2c1nc(-c1cc3ccccc3s1)c1ccccc12.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
The InChIKey is LKBKMWZCVRYWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3S/c1-11-17-19(22-21-11)14-8-4-3-7-13(14)18(20-17)16-10-12-6-2-5-9-15(12)23-16/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline?
5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline has a molecular weight of 315.40 g/mol, XLogP of 5.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-3-methyl-2H-pyrazolo[4,3-c]isoquinoline is sourced from PubChem (CID 11404270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).