N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide

C17H13F3N6O3S — CID 170969371

IUPACN-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)cc(=O)[nH]4)c3)c21
InChIInChI=1S/C17H13F3N6O3S/c1-25-16-10(7-21-25)3-2-4-13(16)24-30(28,29)12-8-22-26(9-12)14-5-11(17(18,19)20)6-15(27)23-14/h2-9,24H,1H3,(H,23,27)
InChIKeyXGGLRCAHCZIFSC-UHFFFAOYSA-N
MW438.39 g/mol
LogP2.27
Rot. Bonds4

About N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide

N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide (PubChem CID 170969371) has the molecular formula C17H13F3N6O3S and a molecular weight of 438.39 g/mol. Its IUPAC name is N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide
PubChem CID170969371
Molecular FormulaC17H13F3N6O3S
Molecular Weight438.39 g/mol
Exact Mass438.07
IUPAC NameN-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)cc(=O)[nH]4)c3)c21
InChIInChI=1S/C17H13F3N6O3S/c1-25-16-10(7-21-25)3-2-4-13(16)24-30(28,29)12-8-22-26(9-12)14-5-11(17(18,19)20)6-15(27)23-14/h2-9,24H,1H3,(H,23,27)
InChIKeyXGGLRCAHCZIFSC-UHFFFAOYSA-N
XLogP2.27
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-(4-(Methylsulfonyl)piperazin-1-yl)-1H-indazol-1-yl)-4-(trifluoromethyl)pyridin-2-ol
CID 163233825
6-(5-(4-(Methylsulfonyl)piperazin-1-yl)-2H-indazol-2-yl)-4-(trifluoromethyl)pyridin-2-ol
CID 163234438
1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968669
5-methyl-N-(1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968792
N-(1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968886
N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969141
1-[4-(1,1-difluoropropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969191
N-(1-methylindazol-7-yl)-1-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969248
N-(1-methylindazol-7-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969437
N-(1-methylindazol-7-yl)-1-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 171918671
N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
CID 171918672
N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170964611

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide (CID 170969371) is N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide is Cn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)cc(=O)[nH]4)c3)c21.
What is the InChIKey of N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide?
The InChIKey is XGGLRCAHCZIFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O3S/c1-25-16-10(7-21-25)3-2-4-13(16)24-30(28,29)12-8-22-26(9-12)14-5-11(17(18,19)20)6-15(27)23-14/h2-9,24H,1H3,(H,23,27).
What are the key properties of N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide?
N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide has a molecular weight of 438.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-7-yl)-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).