6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide

C20H16BrN3OS — CID 71809948

IUPAC6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C20H16BrN3OS/c1-24-19(17-7-6-15(21)10-18(17)23-24)20(25)22-11-13-4-2-3-5-16(13)14-8-9-26-12-14/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyAJCPCUFLCGZSOK-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.99
Rot. Bonds4

About 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide

6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide (PubChem CID 71809948) has the molecular formula C20H16BrN3OS and a molecular weight of 426.34 g/mol. Its IUPAC name is 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide
PubChem CID71809948
Molecular FormulaC20H16BrN3OS
Molecular Weight426.34 g/mol
Exact Mass425.02
IUPAC Name6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide
SMILESCn1nc2cc(Br)ccc2c1C(=O)NCc1ccccc1-c1ccsc1
InChIInChI=1S/C20H16BrN3OS/c1-24-19(17-7-6-15(21)10-18(17)23-24)20(25)22-11-13-4-2-3-5-16(13)14-8-9-26-12-14/h2-10,12H,11H2,1H3,(H,22,25)
InChIKeyAJCPCUFLCGZSOK-UHFFFAOYSA-N
XLogP4.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-thiophen-3-ylphenyl)methyl]pyrazole-5-carboxamide
CID 71809940
6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide
CID 91630343
5-bromo-N-[(2-thiophen-3-ylphenyl)methyl]furan-2-carboxamide
CID 90597008
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
4-(4-fluorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596881
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
4-(diethylsulfamoyl)-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 121145078
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
2-(4-ethoxyphenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809931
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide?
The IUPAC name of 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide (CID 71809948) is 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide is Cn1nc2cc(Br)ccc2c1C(=O)NCc1ccccc1-c1ccsc1.
What is the InChIKey of 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide?
The InChIKey is AJCPCUFLCGZSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3OS/c1-24-19(17-7-6-15(21)10-18(17)23-24)20(25)22-11-13-4-2-3-5-16(13)14-8-9-26-12-14/h2-10,12H,11H2,1H3,(H,22,25).
What are the key properties of 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide?
6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide has a molecular weight of 426.34 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-N-[(2-thiophen-3-ylphenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 71809948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).