6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide

C17H22FN3O3S — CID 129177714

IUPAC6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide
SMILESCc1nn(C2CCC(C)CC2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C17H22FN3O3S/c1-10-4-6-12(7-5-10)21-16-9-15(18)14(8-13(16)11(2)19-21)17(22)20-25(3,23)24/h8-10,12H,4-7H2,1-3H3,(H,20,22)
InChIKeyWHWZFRNBVIXXLF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.92
Rot. Bonds3

About 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide

6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide (PubChem CID 129177714) has the molecular formula C17H22FN3O3S and a molecular weight of 367.45 g/mol. Its IUPAC name is 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide
PubChem CID129177714
Molecular FormulaC17H22FN3O3S
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Name6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide
SMILESCc1nn(C2CCC(C)CC2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C17H22FN3O3S/c1-10-4-6-12(7-5-10)21-16-9-15(18)14(8-13(16)11(2)19-21)17(22)20-25(3,23)24/h8-10,12H,4-7H2,1-3H3,(H,20,22)
InChIKeyWHWZFRNBVIXXLF-UHFFFAOYSA-N
XLogP2.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-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

6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
CID 129166079
N-cyclopropylsulfonyl-1-[1-[(1R)-1-(3,5-dichlorophenyl)ethyl]pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 135389987
N-cyclopropylsulfonyl-1-[(3R)-1-[(1R)-1-(3,5-dichlorophenyl)ethyl]pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 135389984
1-[1-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-N-cyclopropylsulfanyl-6-fluoro-3-methylindazole-5-carboxamide
CID 129177797
1-[1-[[2-bromo-5-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-N-cyclopropylsulfonyl-6-fluoro-3-methylindazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 129166252
5-cyclopropyl-2-fluoro-4-[(4-methylcyclohexyl)methoxy]-N-methylsulfonylbenzamide
CID 91809419
1-[(3R)-1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-N-cyclopropylsulfonyl-6-fluoro-3-methylindazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 135390239
1-[(3R)-1-(3,5-dichlorobenzoyl)pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxylic acid
CID 129166125
1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylic acid
CID 118649365
methyl 1-[1-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-fluoro-3-methylindazole-5-carboxylate
CID 129166201
methyl 1-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxylate
CID 129166119
6-bromo-1-cyclopropyl-3-methylindazole
CID 176566631

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide?
The IUPAC name of 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide (CID 129177714) is 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide?
The canonical SMILES for 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide is Cc1nn(C2CCC(C)CC2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc12.
What is the InChIKey of 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide?
The InChIKey is WHWZFRNBVIXXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3S/c1-10-4-6-12(7-5-10)21-16-9-15(18)14(8-13(16)11(2)19-21)17(22)20-25(3,23)24/h8-10,12H,4-7H2,1-3H3,(H,20,22).
What are the key properties of 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide?
6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide is sourced from PubChem (CID 129177714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).