[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane

C24H24F2N2S — CID 163233630

IUPAC[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane
SMILESC=S(C)c1ccc(-c2ccc(-n3ncc4cc(F)c(C)c(F)c43)cc2)cc1.CC
InChIInChI=1S/C22H18F2N2S.C2H6/c1-14-20(23)12-17-13-25-26(22(17)21(14)24)18-8-4-15(5-9-18)16-6-10-19(11-7-16)27(2)3;1-2/h4-13H,2H2,1,3H3;1-2H3
InChIKeyUDKFTXJLDWSDDO-UHFFFAOYSA-N
MW410.53 g/mol
LogP6.99
Rot. Bonds3

About [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane

[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane (PubChem CID 163233630) has the molecular formula C24H24F2N2S and a molecular weight of 410.53 g/mol. Its IUPAC name is [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane.

Molecular Properties

Compound Name[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane
PubChem CID163233630
Molecular FormulaC24H24F2N2S
Molecular Weight410.53 g/mol
Exact Mass410.16
IUPAC Name[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane
SMILESC=S(C)c1ccc(-c2ccc(-n3ncc4cc(F)c(C)c(F)c43)cc2)cc1.CC
InChIInChI=1S/C22H18F2N2S.C2H6/c1-14-20(23)12-17-13-25-26(22(17)21(14)24)18-8-4-15(5-9-18)16-6-10-19(11-7-16)27(2)3;1-2/h4-13H,2H2,1,3H3;1-2H3
InChIKeyUDKFTXJLDWSDDO-UHFFFAOYSA-N
XLogP6.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chloro-3-hydroxyphenyl)phenyl]-5,7-difluoroindazol-6-ol
CID 171048601
4,7-difluoro-6-methyl-1-(4-phenylphenyl)indazole
CID 163233433
5,7-difluoro-1-[4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]indazol-6-ol
CID 163233702
1-[4-[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]phenyl]-5,7-difluoroindazol-6-ol
CID 163233618
5,7-difluoro-1-[4-[3-(hydroxymethyl)-3-methylazetidin-1-yl]phenyl]indazol-6-ol
CID 163233664
1-(4-cyclohexylphenyl)-5,7-difluoroindazol-6-ol
CID 163233595
2-chloro-4-[4-(5-fluoro-6-methoxyindazol-1-yl)phenyl]phenol
CID 163233753
ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole
CID 170588792
5-fluoro-1-[4-(2-fluorophenyl)phenyl]indazol-6-ol
CID 163233211
6-fluoro-1,7-dimethylindazole
CID 83381543
1-(4-methylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 115040096
[1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 115042606

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane?
The IUPAC name of [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane (CID 163233630) is [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane.
What is the SMILES notation for [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane?
The canonical SMILES for [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane is C=S(C)c1ccc(-c2ccc(-n3ncc4cc(F)c(C)c(F)c43)cc2)cc1.CC.
What is the InChIKey of [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane?
The InChIKey is UDKFTXJLDWSDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2S.C2H6/c1-14-20(23)12-17-13-25-26(22(17)21(14)24)18-8-4-15(5-9-18)16-6-10-19(11-7-16)27(2)3;1-2/h4-13H,2H2,1,3H3;1-2H3.
What are the key properties of [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane?
[4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane has a molecular weight of 410.53 g/mol, XLogP of 6.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5,7-difluoro-6-methylindazol-1-yl)phenyl]phenyl]-methyl-methylidene-λ4-sulfane;ethane is sourced from PubChem (CID 163233630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).