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

C18H15F3N6O3S — CID 170968870

IUPACN-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cn(C)nc2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F3N6O3S/c1-26-9-11-3-4-14(30-2)17(16(11)24-26)25-31(28,29)13-8-23-27(10-13)12-5-6-22-15(7-12)18(19,20)21/h3-10,25H,1-2H3
InChIKeyIIXOXEFMWSHKDD-UHFFFAOYSA-N
MW452.42 g/mol
LogP2.98
Rot. Bonds5

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

N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968870) has the molecular formula C18H15F3N6O3S and a molecular weight of 452.42 g/mol. Its IUPAC name is N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968870
Molecular FormulaC18H15F3N6O3S
Molecular Weight452.42 g/mol
Exact Mass452.09
IUPAC NameN-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cn(C)nc2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H15F3N6O3S/c1-26-9-11-3-4-14(30-2)17(16(11)24-26)25-31(28,29)13-8-23-27(10-13)12-5-6-22-15(7-12)18(19,20)21/h3-10,25H,1-2H3
InChIKeyIIXOXEFMWSHKDD-UHFFFAOYSA-N
XLogP2.98
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

US11787780, Example 144
CID 166916291
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-ethoxy-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968859
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
N-(6-methoxy-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
CID 170969000

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170968870) is N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is COc1ccc2cn(C)nc2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is IIXOXEFMWSHKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O3S/c1-26-9-11-3-4-14(30-2)17(16(11)24-26)25-31(28,29)13-8-23-27(10-13)12-5-6-22-15(7-12)18(19,20)21/h3-10,25H,1-2H3.
What are the key properties of N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 452.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).