cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane

C25H29F3N2O2 — CID 156816483

IUPACcyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
SMILESCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(C1CCC1)N1CCC(O)C1
InChIInChI=1S/C14H8F3N.C9H15NO2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;11-8-4-5-10(6-8)9(12)7-2-1-3-7;1-2/h1-7,18H;7-8,11H,1-6H2;1-2H3
InChIKeyLMLWHZVSVMXNIZ-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.66
Rot. Bonds2

About cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane

cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane (PubChem CID 156816483) has the molecular formula C25H29F3N2O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane.

Molecular Properties

Compound Namecyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
PubChem CID156816483
Molecular FormulaC25H29F3N2O2
Molecular Weight446.51 g/mol
Exact Mass446.22
IUPAC Namecyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
SMILESCC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(C1CCC1)N1CCC(O)C1
InChIInChI=1S/C14H8F3N.C9H15NO2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;11-8-4-5-10(6-8)9(12)7-2-1-3-7;1-2/h1-7,18H;7-8,11H,1-6H2;1-2H3
InChIKeyLMLWHZVSVMXNIZ-UHFFFAOYSA-N
XLogP5.66
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4,4-bis(hydroxymethyl)piperidin-1-yl]-cyclobutylmethanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815866
4-(cyclobutanecarbonyl)-1-propan-2-ylpiperazin-2-one;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815775
cyclobutyl-[2-(methoxymethyl)azetidin-1-yl]methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 156815891
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane;N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 156815845
cyclobutanol;cyclopropanamine;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;propane
CID 156816192
cyclobutanecarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;pyrrolidine-2,5-dione
CID 156816303
5,7-difluoro-2-(4-fluorophenyl)-1H-indole;N-[1-(2-hydroxyethyl)cyclopropyl]cyclobutanecarboxamide
CID 156816200
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
cyclopropyl-[3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]pyrrolidin-1-yl]methanone
CID 162389674
cyclobutyl N-(1-amino-1-oxopropan-2-yl)carbamate;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 162389670
1-N'-(cyclobutylmethyl)cyclopropane-1,1-dicarboxamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane
CID 162390013
N-(cyclobutylmethyl)ethanesulfinamide;5,7-difluoro-2-(4-fluorophenyl)-1H-indole
CID 162389792

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The IUPAC name of cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane (CID 156816483) is cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane.
What is the SMILES notation for cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The canonical SMILES for cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane is CC.Fc1ccc(-c2cc3cc(F)cc(F)c3[nH]2)cc1.O=C(C1CCC1)N1CCC(O)C1.
What is the InChIKey of cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
The InChIKey is LMLWHZVSVMXNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C9H15NO2.C2H6/c15-10-3-1-8(2-4-10)13-6-9-5-11(16)7-12(17)14(9)18-13;11-8-4-5-10(6-8)9(12)7-2-1-3-7;1-2/h1-7,18H;7-8,11H,1-6H2;1-2H3.
What are the key properties of cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane?
cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane has a molecular weight of 446.51 g/mol, XLogP of 5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(3-hydroxypyrrolidin-1-yl)methanone;5,7-difluoro-2-(4-fluorophenyl)-1H-indole;ethane is sourced from PubChem (CID 156816483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).