6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide

C19H26FN3O3S — CID 129166079

IUPAC6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
SMILESCc1nn(C2CCC(C(C)C)CC2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C19H26FN3O3S/c1-11(2)13-5-7-14(8-6-13)23-18-10-17(20)16(9-15(18)12(3)21-23)19(24)22-27(4,25)26/h9-11,13-14H,5-8H2,1-4H3,(H,22,24)
InChIKeyJSUUZLDAOJRAIG-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.56
Rot. Bonds4

About 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide

6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide (PubChem CID 129166079) has the molecular formula C19H26FN3O3S and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
PubChem CID129166079
Molecular FormulaC19H26FN3O3S
Molecular Weight395.50 g/mol
Exact Mass395.17
IUPAC Name6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide
SMILESCc1nn(C2CCC(C(C)C)CC2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C19H26FN3O3S/c1-11(2)13-5-7-14(8-6-13)23-18-10-17(20)16(9-15(18)12(3)21-23)19(24)22-27(4,25)26/h9-11,13-14H,5-8H2,1-4H3,(H,22,24)
InChIKeyJSUUZLDAOJRAIG-UHFFFAOYSA-N
XLogP3.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-3-methyl-1-(4-methylcyclohexyl)-N-methylsulfonylindazole-5-carboxamide
CID 129177714
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-[(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-[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
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
6-cyclopropyl-1-(1-cyclopropylethyl)-N-methylsulfonylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154441
methyl 1-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-6-fluoro-3-methylindazole-5-carboxylate
CID 129166119
5-cyclopropyl-4-[[(1R,5S)-8-[(1R)-1-(3,5-dichlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118120409

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
The IUPAC name of 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide (CID 129166079) is 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
The canonical SMILES for 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide is Cc1nn(C2CCC(C(C)C)CC2)c2cc(F)c(C(=O)NS(C)(=O)=O)cc12.
What is the InChIKey of 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
The InChIKey is JSUUZLDAOJRAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3S/c1-11(2)13-5-7-14(8-6-13)23-18-10-17(20)16(9-15(18)12(3)21-23)19(24)22-27(4,25)26/h9-11,13-14H,5-8H2,1-4H3,(H,22,24).
What are the key properties of 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide?
6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-N-methylsulfonyl-1-(4-propan-2-ylcyclohexyl)indazole-5-carboxamide is sourced from PubChem (CID 129166079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).