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

C19H17F3N6O3S — CID 170968859

IUPACN-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N6O3S/c1-3-31-15-5-4-12-9-24-27(2)18(12)17(15)26-32(29,30)14-10-25-28(11-14)13-6-7-23-16(8-13)19(20,21)22/h4-11,26H,3H2,1-2H3
InChIKeyMYKGJUYNZWXTLT-UHFFFAOYSA-N
MW466.45 g/mol
LogP3.37
Rot. Bonds6

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

N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968859) has the molecular formula C19H17F3N6O3S and a molecular weight of 466.45 g/mol. Its IUPAC name is N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968859
Molecular FormulaC19H17F3N6O3S
Molecular Weight466.45 g/mol
Exact Mass466.10
IUPAC NameN-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N6O3S/c1-3-31-15-5-4-12-9-24-27(2)18(12)17(15)26-32(29,30)14-10-25-28(11-14)13-6-7-23-16(8-13)19(20,21)22/h4-11,26H,3H2,1-2H3
InChIKeyMYKGJUYNZWXTLT-UHFFFAOYSA-N
XLogP3.37
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US9156811, Ddd73507
CID 117905406
1-[5-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 169559462
N-(6-methoxy-1-methylindazol-7-yl)-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968701
1-[4-(3-fluoro-3-methylazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968733
N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
CID 170968752
N-(6-methoxy-1-methylindazol-7-yl)-5-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968855
N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968870
N-(6-methoxy-1-methylindazol-7-yl)-1-[5-methoxy-2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968893
1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968904
N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968922
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968930
N-(1-methyl-6-propan-2-yloxyindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968997

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170968859) is N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is CCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is MYKGJUYNZWXTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O3S/c1-3-31-15-5-4-12-9-24-27(2)18(12)17(15)26-32(29,30)14-10-25-28(11-14)13-6-7-23-16(8-13)19(20,21)22/h4-11,26H,3H2,1-2H3.
What are the key properties of N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 466.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).