1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone

C24H18ClFN2O2 — CID 147890998

IUPAC1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone
SMILESO=C(CC1COC1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18ClFN2O2/c25-21-4-2-1-3-19(21)24-20-10-5-16(23(29)11-15-13-30-14-15)12-22(20)28(27-24)18-8-6-17(26)7-9-18/h1-10,12,15H,11,13-14H2
InChIKeyICGWCHCTAATFJY-UHFFFAOYSA-N
MW420.87 g/mol
LogP5.70
Rot. Bonds5

About 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone

1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone (PubChem CID 147890998) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone
PubChem CID147890998
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone
SMILESO=C(CC1COC1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18ClFN2O2/c25-21-4-2-1-3-19(21)24-20-10-5-16(23(29)11-15-13-30-14-15)12-22(20)28(27-24)18-8-6-17(26)7-9-18/h1-10,12,15H,11,13-14H2
InChIKeyICGWCHCTAATFJY-UHFFFAOYSA-N
XLogP5.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.87
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone (CID 147890998) is 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone is O=C(CC1COC1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone?
The InChIKey is ICGWCHCTAATFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c25-21-4-2-1-3-19(21)24-20-10-5-16(23(29)11-15-13-30-14-15)12-22(20)28(27-24)18-8-6-17(26)7-9-18/h1-10,12,15H,11,13-14H2.
What are the key properties of 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone?
1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone has a molecular weight of 420.87 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1-(4-fluorophenyl)indazol-6-yl]-2-(oxetan-3-yl)ethanone is sourced from PubChem (CID 147890998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).