2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride

C17H17ClN4O — CID 173064640

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2cn(-c3ccc4c(c3)CCNC4)nc12
InChIInChI=1S/C17H16N4O.ClH/c18-17(22)15-3-1-2-13-10-21(20-16(13)15)14-5-4-12-9-19-7-6-11(12)8-14;/h1-5,8,10,19H,6-7,9H2,(H2,18,22);1H
InChIKeyGVXJABOVKIGCHL-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.19
Rot. Bonds2

About 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride

2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride (PubChem CID 173064640) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride
PubChem CID173064640
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2cn(-c3ccc4c(c3)CCNC4)nc12
InChIInChI=1S/C17H16N4O.ClH/c18-17(22)15-3-1-2-13-10-21(20-16(13)15)14-5-4-12-9-19-7-6-11(12)8-14;/h1-5,8,10,19H,6-7,9H2,(H2,18,22);1H
InChIKeyGVXJABOVKIGCHL-UHFFFAOYSA-N
XLogP2.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride (CID 173064640) is 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride is Cl.NC(=O)c1cccc2cn(-c3ccc4c(c3)CCNC4)nc12.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride?
The InChIKey is GVXJABOVKIGCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O.ClH/c18-17(22)15-3-1-2-13-10-21(20-16(13)15)14-5-4-12-9-19-7-6-11(12)8-14;/h1-5,8,10,19H,6-7,9H2,(H2,18,22);1H.
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride?
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride is sourced from PubChem (CID 173064640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).