2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline

C17H16ClN3 — CID 22914822

IUPAC2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(CN3CCc4ccccc4C3)[nH]nc2c1
InChIInChI=1S/C17H16ClN3/c18-14-5-6-15-16(9-14)19-20-17(15)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2,(H,19,20)
InChIKeyKXEWWPLXJKEZPV-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.77
Rot. Bonds2

About 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 22914822) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID22914822
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(CN3CCc4ccccc4C3)[nH]nc2c1
InChIInChI=1S/C17H16ClN3/c18-14-5-6-15-16(9-14)19-20-17(15)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2,(H,19,20)
InChIKeyKXEWWPLXJKEZPV-UHFFFAOYSA-N
XLogP3.77
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-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 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 22914822) is 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is Clc1ccc2c(CN3CCc4ccccc4C3)[nH]nc2c1.
What is the InChIKey of 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is KXEWWPLXJKEZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-14-5-6-15-16(9-14)19-20-17(15)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-6,9H,7-8,10-11H2,(H,19,20).
What are the key properties of 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 297.79 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2H-indazol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 22914822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).