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

C17H16N4O — CID 44549376

IUPAC2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc4c(c3)CNCC4)nc12
InChIInChI=1S/C17H16N4O/c18-17(22)15-3-1-2-12-10-21(20-16(12)15)14-5-4-11-6-7-19-9-13(11)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22)
InChIKeyMWZCHAJAHLWNHS-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.77
Rot. Bonds2

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

2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide (PubChem CID 44549376) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide
PubChem CID44549376
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc4c(c3)CNCC4)nc12
InChIInChI=1S/C17H16N4O/c18-17(22)15-3-1-2-12-10-21(20-16(12)15)14-5-4-11-6-7-19-9-13(11)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22)
InChIKeyMWZCHAJAHLWNHS-UHFFFAOYSA-N
XLogP1.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.77
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-7-yl)indazole-7-carboxamide?
The IUPAC name of 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide (CID 44549376) is 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide?
The canonical SMILES for 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc4c(c3)CNCC4)nc12.
What is the InChIKey of 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide?
The InChIKey is MWZCHAJAHLWNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-17(22)15-3-1-2-12-10-21(20-16(12)15)14-5-4-11-6-7-19-9-13(11)8-14/h1-5,8,10,19H,6-7,9H2,(H2,18,22).
What are the key properties of 2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide?
2-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazole-7-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.77, 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-7-yl)indazole-7-carboxamide is sourced from PubChem (CID 44549376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).