[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone

C29H26F2N4O2 — CID 66840299

About [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 66840299) has the molecular formula C29H26F2N4O2 and a molecular weight of 500.55 g/mol. Its IUPAC name is [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
• PubChem CID: 66840299
• Molecular Formula: C29H26F2N4O2
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.20
• IUPAC Name: [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
• SMILES: O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3cc4ccn(-c5ccc(F)cc5)c4cc3F)C2)CC1
• InChI: InChI=1S/C29H26F2N4O2/c30-22-6-8-23(9-7-22)35-11-10-21-16-25(26(31)17-27(21)35)29(37)34-18-24(19-34)32-12-14-33(15-13-32)28(36)20-4-2-1-3-5-20/h1-11,16-17,24H,12-15,18-19H2
• InChIKey: JYADHOOYTWHVOA-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 48.79 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?

The IUPAC name of [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 66840299) is [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

What is the SMILES notation for [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?

The canonical SMILES for [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C2CN(C(=O)c3cc4ccn(-c5ccc(F)cc5)c4cc3F)C2)CC1.

What is the InChIKey of [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?

The InChIKey is JYADHOOYTWHVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O2/c30-22-6-8-23(9-7-22)35-11-10-21-16-25(26(31)17-27(21)35)29(37)34-18-24(19-34)32-12-14-33(15-13-32)28(36)20-4-2-1-3-5-20/h1-11,16-17,24H,12-15,18-19H2.

What are the key properties of [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone?

[4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 500.55 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[6-fluoro-1-(4-fluorophenyl)indole-5-carbonyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 66840299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).