N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide

C20H19F3N6O3S — CID 170965180

IUPACN-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C20H19F3N6O3S/c1-27-15(9-17(26-27)20(21,22)23)14-7-6-13(11-24-14)33(30,31)29(3)19-16(32-4)8-5-12-10-25-28(2)18(12)19/h5-11H,1-4H3
InChIKeyNQYAIACYSNDYAA-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.22
Rot. Bonds5

About N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide

N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide (PubChem CID 170965180) has the molecular formula C20H19F3N6O3S and a molecular weight of 480.47 g/mol. Its IUPAC name is N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide
PubChem CID170965180
Molecular FormulaC20H19F3N6O3S
Molecular Weight480.47 g/mol
Exact Mass480.12
IUPAC NameN-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide
SMILESCOc1ccc2cnn(C)c2c1N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)nc1
InChIInChI=1S/C20H19F3N6O3S/c1-27-15(9-17(26-27)20(21,22)23)14-7-6-13(11-24-14)33(30,31)29(3)19-16(32-4)8-5-12-10-25-28(2)18(12)19/h5-11H,1-4H3
InChIKeyNQYAIACYSNDYAA-UHFFFAOYSA-N
XLogP3.22
TPSA95.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide (CID 170965180) is N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide is COc1ccc2cnn(C)c2c1N(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2C)nc1.
What is the InChIKey of N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide?
The InChIKey is NQYAIACYSNDYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O3S/c1-27-15(9-17(26-27)20(21,22)23)14-7-6-13(11-24-14)33(30,31)29(3)19-16(32-4)8-5-12-10-25-28(2)18(12)19/h5-11H,1-4H3.
What are the key properties of N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide?
N-(6-methoxy-1-methylindazol-7-yl)-N-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide has a molecular weight of 480.47 g/mol, XLogP of 3.22, 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-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 170965180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).