1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone

C26H23FN2O2 — CID 22480001

IUPAC1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1
InChIInChI=1S/C26H23FN2O2/c27-21-12-9-19(10-13-21)26-22-17-20(24(30)16-18-6-2-1-3-7-18)11-14-23(22)29(28-26)25-8-4-5-15-31-25/h1-3,6-7,9-14,17,25H,4-5,8,15-16H2
InChIKeyYRXZRYCEHMTPMO-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.97
Rot. Bonds5

About 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone

1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone (PubChem CID 22480001) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone
PubChem CID22480001
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1
InChIInChI=1S/C26H23FN2O2/c27-21-12-9-19(10-13-21)26-22-17-20(24(30)16-18-6-2-1-3-7-18)11-14-23(22)29(28-26)25-8-4-5-15-31-25/h1-3,6-7,9-14,17,25H,4-5,8,15-16H2
InChIKeyYRXZRYCEHMTPMO-UHFFFAOYSA-N
XLogP5.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone (CID 22480001) is 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc2c(c1)c(-c1ccc(F)cc1)nn2C1CCCCO1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone?
The InChIKey is YRXZRYCEHMTPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c27-21-12-9-19(10-13-21)26-22-17-20(24(30)16-18-6-2-1-3-7-18)11-14-23(22)29(28-26)25-8-4-5-15-31-25/h1-3,6-7,9-14,17,25H,4-5,8,15-16H2.
What are the key properties of 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone?
1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone has a molecular weight of 414.48 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-(oxan-2-yl)indazol-5-yl]-2-phenylethanone is sourced from PubChem (CID 22480001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).