1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide

C18H15F3N6O2S — CID 170968669

IUPAC1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCn1nc(F)c2cccc(NS(=O)(=O)c3cnn(-c4cc(C(C)(F)F)ccn4)c3)c21
InChIInChI=1S/C18H15F3N6O2S/c1-18(20,21)11-6-7-22-15(8-11)27-10-12(9-23-27)30(28,29)25-14-5-3-4-13-16(14)26(2)24-17(13)19/h3-10,25H,1-2H3
InChIKeyDJJIFQRIGIVCAU-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.21
Rot. Bonds5

About 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968669) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170968669
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC Name1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCn1nc(F)c2cccc(NS(=O)(=O)c3cnn(-c4cc(C(C)(F)F)ccn4)c3)c21
InChIInChI=1S/C18H15F3N6O2S/c1-18(20,21)11-6-7-22-15(8-11)27-10-12(9-23-27)30(28,29)25-14-5-3-4-13-16(14)26(2)24-17(13)19/h3-10,25H,1-2H3
InChIKeyDJJIFQRIGIVCAU-UHFFFAOYSA-N
XLogP3.21
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

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US9156811, Ddd85624
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170968669) is 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide is Cn1nc(F)c2cccc(NS(=O)(=O)c3cnn(-c4cc(C(C)(F)F)ccn4)c3)c21.
What is the InChIKey of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is DJJIFQRIGIVCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c1-18(20,21)11-6-7-22-15(8-11)27-10-12(9-23-27)30(28,29)25-14-5-3-4-13-16(14)26(2)24-17(13)19/h3-10,25H,1-2H3.
What are the key properties of 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 436.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(3-fluoro-1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).