5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole

C20H13F2N3S — CID 156734108

IUPAC5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESFc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C20H13F2N3S/c21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h1-12H,(H,24,25)/b6-4+
InChIKeyPWKWAKJEHNCJDL-GQCTYLIASA-N
MW365.41 g/mol
LogP5.56
Rot. Bonds4

About 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole

5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (PubChem CID 156734108) has the molecular formula C20H13F2N3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
PubChem CID156734108
Molecular FormulaC20H13F2N3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
SMILESFc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1
InChIInChI=1S/C20H13F2N3S/c21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h1-12H,(H,24,25)/b6-4+
InChIKeyPWKWAKJEHNCJDL-GQCTYLIASA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.41
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
Gsk583
CID 67469084
3-phenyl-5-(pyridin-4-yl)-1H-indazole
CID 9878588
N-[(5-fluoro-2-methylsulfonylphenyl)methyl]-3-pyridin-3-yl-1H-indazol-5-amine
CID 155529416
N-phenyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
CID 141763975
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
CID 141764047
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
CID 155424832
5-[2-(3,5-difluorophenyl)ethynyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734027
N-[(3,5-difluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734071
N-[(3,5-difluorophenyl)methyl]-N-methyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-5-amine
CID 156734078
N-[(3-fluorophenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734092

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The IUPAC name of 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole (CID 156734108) is 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The canonical SMILES for 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is Fc1cc(F)cc(Sc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
The InChIKey is PWKWAKJEHNCJDL-GQCTYLIASA-N. The full InChI is InChI=1S/C20H13F2N3S/c21-13-9-14(22)11-17(10-13)26-16-5-7-20-18(12-16)19(24-25-20)6-4-15-3-1-2-8-23-15/h1-12H,(H,24,25)/b6-4+.
What are the key properties of 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole?
5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole has a molecular weight of 365.41 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole is sourced from PubChem (CID 156734108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).