3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole

C25H22FN3O — CID 87827957

IUPAC3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole
SMILESFc1ccc(-c2nn(C3CCCCO3)c3ccc(/C=C/c4ccccn4)cc23)cc1
InChIInChI=1S/C25H22FN3O/c26-20-11-9-19(10-12-20)25-22-17-18(7-13-21-5-1-3-15-27-21)8-14-23(22)29(28-25)24-6-2-4-16-30-24/h1,3,5,7-15,17,24H,2,4,6,16H2/b13-7+
InChIKeyPGKYRRWFCDCLOP-NTUHNPAUSA-N
MW399.47 g/mol
LogP6.11
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole

3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole (PubChem CID 87827957) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole
PubChem CID87827957
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC Name3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole
SMILESFc1ccc(-c2nn(C3CCCCO3)c3ccc(/C=C/c4ccccn4)cc23)cc1
InChIInChI=1S/C25H22FN3O/c26-20-11-9-19(10-12-20)25-22-17-18(7-13-21-5-1-3-15-27-21)8-14-23(22)29(28-25)24-6-2-4-16-30-24/h1,3,5,7-15,17,24H,2,4,6,16H2/b13-7+
InChIKeyPGKYRRWFCDCLOP-NTUHNPAUSA-N
XLogP6.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.47
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
ethyl 2-{8-ethyl-3-phenyl-1H-pyrazolo[4,3-c]quinolin-1-yl}acetate
CID 6621648
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole?
The IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole (CID 87827957) is 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole is Fc1ccc(-c2nn(C3CCCCO3)c3ccc(/C=C/c4ccccn4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole?
The InChIKey is PGKYRRWFCDCLOP-NTUHNPAUSA-N. The full InChI is InChI=1S/C25H22FN3O/c26-20-11-9-19(10-12-20)25-22-17-18(7-13-21-5-1-3-15-27-21)8-14-23(22)29(28-25)24-6-2-4-16-30-24/h1,3,5,7-15,17,24H,2,4,6,16H2/b13-7+.
What are the key properties of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole?
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole has a molecular weight of 399.47 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-[(E)-2-pyridin-2-ylethenyl]indazole is sourced from PubChem (CID 87827957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).