5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole

C25H21F2N3O — CID 164944594

IUPAC5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole
SMILESFc1cc(F)cc(-c2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1
InChIInChI=1S/C25H21F2N3O/c26-19-13-18(14-20(27)16-19)17-7-10-24-22(15-17)23(9-8-21-5-1-3-11-28-21)29-30(24)25-6-2-4-12-31-25/h1,3,5,7-11,13-16,25H,2,4,6,12H2/b9-8+
InChIKeyQYMDSMXHQNKYFW-CMDGGOBGSA-N
MW417.46 g/mol
LogP6.25
Rot. Bonds4

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

5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole (PubChem CID 164944594) has the molecular formula C25H21F2N3O and a molecular weight of 417.46 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole
PubChem CID164944594
Molecular FormulaC25H21F2N3O
Molecular Weight417.46 g/mol
Exact Mass417.17
IUPAC Name5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole
SMILESFc1cc(F)cc(-c2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1
InChIInChI=1S/C25H21F2N3O/c26-19-13-18(14-20(27)16-19)17-7-10-24-22(15-17)23(9-8-21-5-1-3-11-28-21)29-30(24)25-6-2-4-12-31-25/h1,3,5,7-11,13-16,25H,2,4,6,12H2/b9-8+
InChIKeyQYMDSMXHQNKYFW-CMDGGOBGSA-N
XLogP6.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Nerispirdine
CID 3081185
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
2-(4-Fluorophenyl)-5-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836050
2-(4-Fluorophenyl)-4-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879492
4-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9879605
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 10155254

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole?
The IUPAC name of 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole (CID 164944594) is 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole?
The canonical SMILES for 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole is Fc1cc(F)cc(-c2ccc3c(c2)c(/C=C/c2ccccn2)nn3C2CCCCO2)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole?
The InChIKey is QYMDSMXHQNKYFW-CMDGGOBGSA-N. The full InChI is InChI=1S/C25H21F2N3O/c26-19-13-18(14-20(27)16-19)17-7-10-24-22(15-17)23(9-8-21-5-1-3-11-28-21)29-30(24)25-6-2-4-12-31-25/h1,3,5,7-11,13-16,25H,2,4,6,12H2/b9-8+.
What are the key properties of 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole?
5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole has a molecular weight of 417.46 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazole is sourced from PubChem (CID 164944594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).