4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide

C18H15F3N6OS — CID 170965185

IUPAC4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide
SMILESCc1cc(-n2cc(C(F)(F)F)cn2)ncc1S(=O)Nc1cccc2cnn(C)c12
InChIInChI=1S/C18H15F3N6OS/c1-11-6-16(27-10-13(8-24-27)18(19,20)21)22-9-15(11)29(28)25-14-5-3-4-12-7-23-26(2)17(12)14/h3-10,25H,1-2H3
InChIKeyCTVJBSFJOXGCMD-UHFFFAOYSA-N
MW420.42 g/mol
LogP3.62
Rot. Bonds4

About 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide

4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide (PubChem CID 170965185) has the molecular formula C18H15F3N6OS and a molecular weight of 420.42 g/mol. Its IUPAC name is 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide.

Molecular Properties

Compound Name4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide
PubChem CID170965185
Molecular FormulaC18H15F3N6OS
Molecular Weight420.42 g/mol
Exact Mass420.10
IUPAC Name4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide
SMILESCc1cc(-n2cc(C(F)(F)F)cn2)ncc1S(=O)Nc1cccc2cnn(C)c12
InChIInChI=1S/C18H15F3N6OS/c1-11-6-16(27-10-13(8-24-27)18(19,20)21)22-9-15(11)29(28)25-14-5-3-4-12-7-23-26(2)17(12)14/h3-10,25H,1-2H3
InChIKeyCTVJBSFJOXGCMD-UHFFFAOYSA-N
XLogP3.62
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 171463665
N-(1,6-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170965119
N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171467952
1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
1-methyl-N-[1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]sulfanylindazol-7-amine
CID 170969390
1-(4-acetyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969256
1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918638
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
1-(4-cyclopropyl-2-pyridinyl)-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969364
1-methyl-N-[2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]ethylsulfanyl]indazol-7-amine
CID 177051884
N-(1-methylindazol-7-yl)-1-[4-(2-oxopyrrolidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171918646
1-[4-(3-methylazetidin-1-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969442

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide?
The IUPAC name of 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide (CID 170965185) is 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide.
What is the SMILES notation for 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide?
The canonical SMILES for 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide is Cc1cc(-n2cc(C(F)(F)F)cn2)ncc1S(=O)Nc1cccc2cnn(C)c12.
What is the InChIKey of 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide?
The InChIKey is CTVJBSFJOXGCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6OS/c1-11-6-16(27-10-13(8-24-27)18(19,20)21)22-9-15(11)29(28)25-14-5-3-4-12-7-23-26(2)17(12)14/h3-10,25H,1-2H3.
What are the key properties of 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide?
4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide has a molecular weight of 420.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfinamide is sourced from PubChem (CID 170965185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).