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

C17H14F3N7O3S — CID 170968752

IUPACN-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ncn2)c1
InChIInChI=1S/C17H14F3N7O3S/c1-26-16-10(6-23-26)3-4-12(30-2)15(16)25-31(28,29)11-7-24-27(8-11)14-5-13(17(18,19)20)21-9-22-14/h3-9,25H,1-2H3
InChIKeyHIIWBXWQCIMCEN-UHFFFAOYSA-N
MW453.41 g/mol
LogP2.38
Rot. Bonds5

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

N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 170968752) has the molecular formula C17H14F3N7O3S and a molecular weight of 453.41 g/mol. Its IUPAC name is N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
PubChem CID170968752
Molecular FormulaC17H14F3N7O3S
Molecular Weight453.41 g/mol
Exact Mass453.08
IUPAC NameN-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ncn2)c1
InChIInChI=1S/C17H14F3N7O3S/c1-26-16-10(6-23-26)3-4-12(30-2)15(16)25-31(28,29)11-7-24-27(8-11)14-5-13(17(18,19)20)21-9-22-14/h3-9,25H,1-2H3
InChIKeyHIIWBXWQCIMCEN-UHFFFAOYSA-N
XLogP2.38
TPSA116.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine
CID 67282190
N-[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]-2-methyl-2h-indazol-7-amine
CID 67283019
4-fluoro-N-(2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)-3-methylbenzenesulfonamide
CID 16825001
2-fluoro-N-(2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)benzenesulfonamide
CID 16886292
N-[1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1-methylimidazole-4-sulfonamide
CID 172434845
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
1-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
CID 170968851
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
1-[4-(difluoromethyl)-2-pyridinyl]-N-(6-methoxy-1-methylpyrazolo[4,3-c]pyridin-7-yl)pyrazole-4-sulfonamide
CID 170968891

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide (CID 170968752) is N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide is COc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cc(C(F)(F)F)ncn2)c1.
What is the InChIKey of N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is HIIWBXWQCIMCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7O3S/c1-26-16-10(6-23-26)3-4-12(30-2)15(16)25-31(28,29)11-7-24-27(8-11)14-5-13(17(18,19)20)21-9-22-14/h3-9,25H,1-2H3.
What are the key properties of N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide?
N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 453.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1-methylindazol-7-yl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).