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

C19H14F3N7O2S — CID 170969209

IUPACN-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(CC#N)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C19H14F3N7O2S/c1-28-18-13(9-25-28)3-2-12(4-6-23)17(18)27-32(30,31)15-10-26-29(11-15)14-5-7-24-16(8-14)19(20,21)22/h2-3,5,7-11,27H,4H2,1H3
InChIKeyHMMOJLFJOCMRRJ-UHFFFAOYSA-N
MW461.43 g/mol
LogP3.04
Rot. Bonds5

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

N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969209) has the molecular formula C19H14F3N7O2S and a molecular weight of 461.43 g/mol. Its IUPAC name is N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969209
Molecular FormulaC19H14F3N7O2S
Molecular Weight461.43 g/mol
Exact Mass461.09
IUPAC NameN-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(CC#N)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C19H14F3N7O2S/c1-28-18-13(9-25-28)3-2-12(4-6-23)17(18)27-32(30,31)15-10-26-29(11-15)14-5-7-24-16(8-14)19(20,21)22/h2-3,5,7-11,27H,4H2,1H3
InChIKeyHMMOJLFJOCMRRJ-UHFFFAOYSA-N
XLogP3.04
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(cyanomethyl)-1-methylindazol-7-yl]-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
6-[3-cyano-5-fluoro-6-methyl-1-(4-pyridyl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66731191
6-[3-cyano-6-ethyl-5-fluoro-1-(4-pyridyl)indol-2-yl]-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66731311
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 122690767
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzenesulfonamide
CID 25172065
US11787780, Example 117
CID 163429989
US11787780, Example 124
CID 163625856
US11787780, Example 127
CID 163625857
US11787780, Example 125
CID 163768120
US11787780, Example 128
CID 163768121
US11787780, Example 37
CID 164041519
US11787780, Example 59
CID 166916137

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170969209) is N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is Cn1ncc2ccc(CC#N)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21.
What is the InChIKey of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is HMMOJLFJOCMRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N7O2S/c1-28-18-13(9-25-28)3-2-12(4-6-23)17(18)27-32(30,31)15-10-26-29(11-15)14-5-7-24-16(8-14)19(20,21)22/h2-3,5,7-11,27H,4H2,1H3.
What are the key properties of N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 461.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyanomethyl)-1-methylindazol-7-yl]-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).