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

C18H15F3N6O3S — CID 170968930

IUPACN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C18H15F3N6O3S/c1-26-17-11(8-23-26)3-4-14(30-2)16(17)25-31(28,29)13-9-24-27(10-13)15-7-12(5-6-22-15)18(19,20)21/h3-10,25H,1-2H3
InChIKeyYIZWZNPYPYJHEB-UHFFFAOYSA-N
MW452.42 g/mol
LogP2.98
Rot. Bonds5

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

N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968930) has the molecular formula C18H15F3N6O3S and a molecular weight of 452.42 g/mol. Its IUPAC name is N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968930
Molecular FormulaC18H15F3N6O3S
Molecular Weight452.42 g/mol
Exact Mass452.09
IUPAC NameN-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C18H15F3N6O3S/c1-26-17-11(8-23-26)3-4-14(30-2)16(17)25-31(28,29)13-9-24-27(10-13)15-7-12(5-6-22-15)18(19,20)21/h3-10,25H,1-2H3
InChIKeyYIZWZNPYPYJHEB-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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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 170968930) is N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is YIZWZNPYPYJHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O3S/c1-26-17-11(8-23-26)3-4-14(30-2)16(17)25-31(28,29)13-9-24-27(10-13)15-7-12(5-6-22-15)18(19,20)21/h3-10,25H,1-2H3.
What are the key properties of N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-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-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).