1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C22H19F3N2O4 — CID 66661739

IUPAC1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCOc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnc(C(F)(F)F)cc34)CC2)cc1
InChIInChI=1S/C22H19F3N2O4/c1-30-14-4-2-13(3-5-14)20(6-7-20)19(29)27-9-8-21(12-27)16-10-17(22(23,24)25)26-11-15(16)18(28)31-21/h2-5,10-11H,6-9,12H2,1H3
InChIKeyVLAQJBORZNCKAU-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.44
Rot. Bonds3

About 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661739) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661739
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC Name1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCOc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnc(C(F)(F)F)cc34)CC2)cc1
InChIInChI=1S/C22H19F3N2O4/c1-30-14-4-2-13(3-5-14)20(6-7-20)19(29)27-9-8-21(12-27)16-10-17(22(23,24)25)26-11-15(16)18(28)31-21/h2-5,10-11H,6-9,12H2,1H3
InChIKeyVLAQJBORZNCKAU-UHFFFAOYSA-N
XLogP3.44
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1'-(1-pyridin-2-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661983
N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
CID 66662265
methyl (2S,5S)-1-(4-methoxypyridine-2-carbonyl)-5-phenylpyrrolidine-2-carboxylate
CID 100735982
1'-[2-[4-(5-Fluoro-2-pyridinyl)phenoxy]-2-methylpropanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 58589413
methyl (2R,3S)-2-(cyclopropylmethyl)-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carboxylate
CID 59648006
1'-[1-[4-(Trifluoromethyl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661537
(1R)-1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661590
1'-[1-[4-[(4-Bromo-2-fluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661620
(1R)-1'-[1-[6-[3-(trifluoromethyl)phenyl]pyridin-3-yl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661708
1'-[1-[6-(4-Fluorophenyl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661712
(1R)-1'-[1-[2-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661713
1'-[1-[4-(Difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661719

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661739) is 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is COc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnc(C(F)(F)F)cc34)CC2)cc1.
What is the InChIKey of 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is VLAQJBORZNCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c1-30-14-4-2-13(3-5-14)20(6-7-20)19(29)27-9-8-21(12-27)16-10-17(22(23,24)25)26-11-15(16)18(28)31-21/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 432.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4-methoxyphenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).