N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

C20H19F3N6O2S — CID 170968728

IUPACN-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cn(-c2ccnc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C20H19F3N6O2S/c1-4-13-5-6-14-10-25-28(3)19(14)18(13)27-32(30,31)16-11-29(26-12(16)2)15-7-8-24-17(9-15)20(21,22)23/h5-11,27H,4H2,1-3H3
InChIKeyDUQVYHRZLQYAHP-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.84
Rot. Bonds5

About N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968728) has the molecular formula C20H19F3N6O2S and a molecular weight of 464.47 g/mol. Its IUPAC name is N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968728
Molecular FormulaC20H19F3N6O2S
Molecular Weight464.47 g/mol
Exact Mass464.12
IUPAC NameN-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cn(-c2ccnc(C(F)(F)F)c2)nc1C
InChIInChI=1S/C20H19F3N6O2S/c1-4-13-5-6-14-10-25-28(3)19(14)18(13)27-32(30,31)16-11-29(26-12(16)2)15-7-8-24-17(9-15)20(21,22)23/h5-11,27H,4H2,1-3H3
InChIKeyDUQVYHRZLQYAHP-UHFFFAOYSA-N
XLogP3.84
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 122690767
3-(6-fluoro-1H-indazol-3-yl)-N-pyridin-3-ylbenzenesulfonamide
CID 164620720
N-[3-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424836
US11787780, Example 117
CID 163429989
US11787780, Example 13
CID 163518189
US11787780, Example 12
CID 163518190
US11787780, Example 6
CID 163619812
US11787780, Example 124
CID 163625856
US11787780, Example 127
CID 163625857
US11787780, Example 5
CID 163693397
US11787780, Example 125
CID 163768120

Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170968728) is N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is CCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cn(-c2ccnc(C(F)(F)F)c2)nc1C.
What is the InChIKey of N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is DUQVYHRZLQYAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2S/c1-4-13-5-6-14-10-25-28(3)19(14)18(13)27-32(30,31)16-11-29(26-12(16)2)15-7-8-24-17(9-15)20(21,22)23/h5-11,27H,4H2,1-3H3.
What are the key properties of N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 464.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).