[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

C24H23F3N2O3 — CID 166008611

About [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 166008611) has the molecular formula C24H23F3N2O3 and a molecular weight of 444.45 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

• Compound Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
• PubChem CID: 166008611
• Molecular Formula: C24H23F3N2O3
• Molecular Weight: 444.45 g/mol
• Exact Mass: 444.17
• IUPAC Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
• SMILES: O=C(C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)N1CCOC(CO)C1
• InChI: InChI=1S/C24H23F3N2O3/c25-16-3-1-13(2-4-16)22-21(19-9-17(26)10-20(27)23(19)28-22)14-7-15(8-14)24(31)29-5-6-32-18(11-29)12-30/h1-4,9-10,14-15,18,28,30H,5-8,11-12H2
• InChIKey: QAZNIOFYQCKYIP-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 65.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.45
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?

The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 166008611) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone.

What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?

The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)N1CCOC(CO)C1.

What is the InChIKey of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?

The InChIKey is QAZNIOFYQCKYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O3/c25-16-3-1-13(2-4-16)22-21(19-9-17(26)10-20(27)23(19)28-22)14-7-15(8-14)24(31)29-5-6-32-18(11-29)12-30/h1-4,9-10,14-15,18,28,30H,5-8,11-12H2.

What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone?

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 444.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 166008611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).