5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide

C17H14BrN3O — CID 112527867

IUPAC5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C17H14BrN3O/c18-13-6-5-10-7-12(8-11(10)9-13)17(22)19-16-14-3-1-2-4-15(14)20-21-16/h1-6,9,12H,7-8H2,(H2,19,20,21,22)
InChIKeyYHWQRDXZNLSAAF-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.68
Rot. Bonds2

About 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide

5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 112527867) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID112527867
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)C1Cc2ccc(Br)cc2C1
InChIInChI=1S/C17H14BrN3O/c18-13-6-5-10-7-12(8-11(10)9-13)17(22)19-16-14-3-1-2-4-15(14)20-21-16/h1-6,9,12H,7-8H2,(H2,19,20,21,22)
InChIKeyYHWQRDXZNLSAAF-UHFFFAOYSA-N
XLogP3.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide
CID 167773802
5-bromo-N-(2-methyl-1H-indol-4-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112526466
4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
CID 61068511
1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647
5-bromo-N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525315
6-bromo-N-(1H-indazol-3-yl)-1-benzofuran-2-carboxamide
CID 112527825
5-bromo-N-(4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 84578206
N-(6-hydroxy-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135546358
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 62686203
N-(1H-indazol-3-yl)-5-methyloxolane-2-carboxamide
CID 80979232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 112527867) is 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1n[nH]c2ccccc12)C1Cc2ccc(Br)cc2C1.
What is the InChIKey of 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is YHWQRDXZNLSAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-13-6-5-10-7-12(8-11(10)9-13)17(22)19-16-14-3-1-2-4-15(14)20-21-16/h1-6,9,12H,7-8H2,(H2,19,20,21,22).
What are the key properties of 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide?
5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 112527867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).