N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

C17H13F3N6O2S — CID 171467952

IUPACN-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILES[2H]C([2H])([2H])n1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C17H13F3N6O2S/c1-25-16-11(8-22-25)3-2-4-14(16)24-29(27,28)13-9-23-26(10-13)15-7-12(5-6-21-15)17(18,19)20/h2-10,24H,1H3/i1D3
InChIKeyKYWLPJBUTKPHEQ-FIBGUPNXSA-N
MW425.41 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 171467952) has the molecular formula C17H13F3N6O2S and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID171467952
Molecular FormulaC17H13F3N6O2S
Molecular Weight425.41 g/mol
Exact Mass425.10
IUPAC NameN-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILES[2H]C([2H])([2H])n1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C17H13F3N6O2S/c1-25-16-11(8-22-25)3-2-4-14(16)24-29(27,28)13-9-23-26(10-13)15-7-12(5-6-21-15)17(18,19)20/h2-10,24H,1H3/i1D3
InChIKeyKYWLPJBUTKPHEQ-FIBGUPNXSA-N
XLogP2.97
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918638
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
1-[4-(1-hydroxyethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969373
1-(4-acetyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969256
1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
N-(1-methylindazol-7-yl)-1-[4-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171918646
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442
1-[4-(1-cyanocyclopropyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968747
1-[4-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968777
1-[4-[3-(methoxymethyl)cyclobutyl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 174210518
1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968677

Frequently Asked Questions

What is the IUPAC name of N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 171467952) is N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is [2H]C([2H])([2H])n1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21.
What is the InChIKey of N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is KYWLPJBUTKPHEQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C17H13F3N6O2S/c1-25-16-11(8-22-25)3-2-4-14(16)24-29(27,28)13-9-23-26(10-13)15-7-12(5-6-21-15)17(18,19)20/h2-10,24H,1H3/i1D3.
What are the key properties of N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 425.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 171467952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).