N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

C18H15F3N6O2S — CID 170968755

IUPACN-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F3N6O2S/c1-11-3-4-12-8-23-26(2)17(12)16(11)25-30(28,29)14-9-24-27(10-14)13-5-6-22-15(7-13)18(19,20)21/h3-10,25H,1-2H3
InChIKeyDGGHWLIAWVNGIQ-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.28
Rot. Bonds4

About N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968755) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968755
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC NameN-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F3N6O2S/c1-11-3-4-12-8-23-26(2)17(12)16(11)25-30(28,29)14-9-24-27(10-14)13-5-6-22-15(7-13)18(19,20)21/h3-10,25H,1-2H3
InChIKeyDGGHWLIAWVNGIQ-UHFFFAOYSA-N
XLogP3.28
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide 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

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
N-[3-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424836
US11787780, Example 117
CID 163429989
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
US11787780, Example 128
CID 163768121
US11787780, Example 39
CID 163865683
US11787780, Example 4
CID 163875563

Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170968755) is N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is Cc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is DGGHWLIAWVNGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c1-11-3-4-12-8-23-26(2)17(12)16(11)25-30(28,29)14-9-24-27(10-14)13-5-6-22-15(7-13)18(19,20)21/h3-10,25H,1-2H3.
What are the key properties of N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 436.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).