3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione

C24H22F3N3O2 — CID 166579518

IUPAC3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C(=O)N1
InChIInChI=1S/C24H22F3N3O2/c25-15-3-1-13(2-4-15)22-21(17-9-16(26)10-18(27)23(17)30-22)14-7-12(8-14)11-28-19-5-6-20(31)29-24(19)32/h1-4,9-10,12,14,19,28,30H,5-8,11H2,(H,29,31,32)
InChIKeyQQYNIBLALOPYMT-UHFFFAOYSA-N
MW441.45 g/mol
LogP4.14
Rot. Bonds5

About 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione

3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione (PubChem CID 166579518) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione
PubChem CID166579518
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC Name3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione
SMILESO=C1CCC(NCC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C(=O)N1
InChIInChI=1S/C24H22F3N3O2/c25-15-3-1-13(2-4-15)22-21(17-9-16(26)10-18(27)23(17)30-22)14-7-12(8-14)11-28-19-5-6-20(31)29-24(19)32/h1-4,9-10,12,14,19,28,30H,5-8,11H2,(H,29,31,32)
InChIKeyQQYNIBLALOPYMT-UHFFFAOYSA-N
XLogP4.14
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]cyclobutanamine
CID 162389562
(3R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]oxolan-3-amine
CID 166579488
3-[2-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-2-oxoethyl]piperidine-2,6-dione
CID 167610430
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 162389556
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1-hydroxycyclopropyl)methyl]urea
CID 156816375
1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 156816001
[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-[(3R)-2-oxopyrrolidin-3-yl]sulfamic acid
CID 168867238
(2R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-methoxypropanamide
CID 166579586
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-hydroxy-3-methylbutanamide
CID 162390081
N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-2-(oxan-3-yl)acetamide
CID 162389885
1-[3-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]cyclobutyl]-N-methylmethanamine
CID 162389852
(4R)-N-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-4-fluoropyrrolidine-2-carboxamide
CID 162389727

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione?
The IUPAC name of 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione (CID 166579518) is 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione?
The canonical SMILES for 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione is O=C1CCC(NCC2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C(=O)N1.
What is the InChIKey of 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione?
The InChIKey is QQYNIBLALOPYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c25-15-3-1-13(2-4-15)22-21(17-9-16(26)10-18(27)23(17)30-22)14-7-12(8-14)11-28-19-5-6-20(31)29-24(19)32/h1-4,9-10,12,14,19,28,30H,5-8,11H2,(H,29,31,32).
What are the key properties of 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione?
3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione has a molecular weight of 441.45 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]piperidine-2,6-dione is sourced from PubChem (CID 166579518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).