N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide

C14H12BrN3OS — CID 62921447

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3OS/c1-18(7-12-5-11(15)8-20-12)14(19)9-2-3-10-6-16-17-13(10)4-9/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyIVJUHNXXYFSHMF-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.66
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide (PubChem CID 62921447) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
PubChem CID62921447
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide
SMILESCN(Cc1cc(Br)cs1)C(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C14H12BrN3OS/c1-18(7-12-5-11(15)8-20-12)14(19)9-2-3-10-6-16-17-13(10)4-9/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyIVJUHNXXYFSHMF-UHFFFAOYSA-N
XLogP3.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-1H-indazole-6-carboxamide
CID 60960458
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]benzoic acid
CID 60971340
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylbenzamide
CID 47421884
N-[(4-bromothiophen-2-yl)methyl]-4-tert-butyl-N-methylbenzamide
CID 63531679
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 62174359
4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730250
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107026057
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-1H-indazole-6-carboxamide
CID 60724448
N-[(4-bromothiophen-2-yl)methyl]-3-cyano-N-methylbenzamide
CID 47042133
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712082
N-methyl-N-(2-methylbutan-2-yl)-1H-indazole-6-carboxamide
CID 63960134

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide (CID 62921447) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide is CN(Cc1cc(Br)cs1)C(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide?
The InChIKey is IVJUHNXXYFSHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-18(7-12-5-11(15)8-20-12)14(19)9-2-3-10-6-16-17-13(10)4-9/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide has a molecular weight of 350.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1H-indazole-6-carboxamide is sourced from PubChem (CID 62921447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).