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

C25H22FN3O — CID 69422306

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole
SMILESFc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccccn4)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
InChIKeyPGKYRRWFCDCLOP-UHFFFAOYSA-N
MW399.47 g/mol
LogP6.11
Rot. Bonds4

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

3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole (PubChem CID 69422306) 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-(2-pyridin-2-ylethenyl)indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole
PubChem CID69422306
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC Name3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole
SMILESFc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccccn4)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
InChIKeyPGKYRRWFCDCLOP-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole?
The IUPAC name of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole (CID 69422306) is 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole is Fc1ccc(-c2nn(C3CCCCO3)c3ccc(C=Cc4ccccn4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole?
The InChIKey is PGKYRRWFCDCLOP-UHFFFAOYSA-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.
What are the key properties of 3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(2-pyridin-2-ylethenyl)indazole?
3-(4-fluorophenyl)-1-(oxan-2-yl)-5-(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-(2-pyridin-2-ylethenyl)indazole is sourced from PubChem (CID 69422306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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