1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C33H32F3N3O3 — CID 18694239

IUPAC1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCN1CCC2(CC1)COc1cc3c(cc12)N(C(=O)c1ccc(-c2ccc(N4CCCC4=O)cc2C(F)(F)F)cc1)CC3
InChIInChI=1S/C33H32F3N3O3/c1-37-15-11-32(12-16-37)20-42-29-17-23-10-14-39(28(23)19-27(29)32)31(41)22-6-4-21(5-7-22)25-9-8-24(18-26(25)33(34,35)36)38-13-2-3-30(38)40/h4-9,17-19H,2-3,10-16,20H2,1H3
InChIKeyWXZHNLYFKNVIMT-UHFFFAOYSA-N
MW575.63 g/mol
LogP6.06
Rot. Bonds3

About 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 18694239) has the molecular formula C33H32F3N3O3 and a molecular weight of 575.63 g/mol. Its IUPAC name is 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID18694239
Molecular FormulaC33H32F3N3O3
Molecular Weight575.63 g/mol
Exact Mass575.24
IUPAC Name1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCN1CCC2(CC1)COc1cc3c(cc12)N(C(=O)c1ccc(-c2ccc(N4CCCC4=O)cc2C(F)(F)F)cc1)CC3
InChIInChI=1S/C33H32F3N3O3/c1-37-15-11-32(12-16-37)20-42-29-17-23-10-14-39(28(23)19-27(29)32)31(41)22-6-4-21(5-7-22)25-9-8-24(18-26(25)33(34,35)36)38-13-2-3-30(38)40/h4-9,17-19H,2-3,10-16,20H2,1H3
InChIKeyWXZHNLYFKNVIMT-UHFFFAOYSA-N
XLogP6.06
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.63
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 18694239) is 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is CN1CCC2(CC1)COc1cc3c(cc12)N(C(=O)c1ccc(-c2ccc(N4CCCC4=O)cc2C(F)(F)F)cc1)CC3.
What is the InChIKey of 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is WXZHNLYFKNVIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N3O3/c1-37-15-11-32(12-16-37)20-42-29-17-23-10-14-39(28(23)19-27(29)32)31(41)22-6-4-21(5-7-22)25-9-8-24(18-26(25)33(34,35)36)38-13-2-3-30(38)40/h4-9,17-19H,2-3,10-16,20H2,1H3.
What are the key properties of 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 575.63 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 18694239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).