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

C19H17F3N6O3S — CID 170968922

IUPACN-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1N(C)S(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N6O3S/c1-26-17-12(9-24-26)4-5-15(31-3)18(17)27(2)32(29,30)14-10-25-28(11-14)13-6-7-23-16(8-13)19(20,21)22/h4-11H,1-3H3
InChIKeyDOFMLBJJXLAWOY-UHFFFAOYSA-N
MW466.45 g/mol
LogP3.01
Rot. Bonds5

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

N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968922) has the molecular formula C19H17F3N6O3S and a molecular weight of 466.45 g/mol. Its IUPAC name is N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968922
Molecular FormulaC19H17F3N6O3S
Molecular Weight466.45 g/mol
Exact Mass466.10
IUPAC NameN-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1N(C)S(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N6O3S/c1-26-17-12(9-24-26)4-5-15(31-3)18(17)27(2)32(29,30)14-10-25-28(11-14)13-6-7-23-16(8-13)19(20,21)22/h4-11H,1-3H3
InChIKeyDOFMLBJJXLAWOY-UHFFFAOYSA-N
XLogP3.01
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

US11787780, Example 144
CID 166916291
US11787780, Example 70
CID 166916875
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-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)-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-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170968922) is N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1N(C)S(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is DOFMLBJJXLAWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O3S/c1-26-17-12(9-24-26)4-5-15(31-3)18(17)27(2)32(29,30)14-10-25-28(11-14)13-6-7-23-16(8-13)19(20,21)22/h4-11H,1-3H3.
What are the key properties of N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 466.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).