1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C21H16F4N2O3 — CID 66662534

IUPAC1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)c2cc(C(F)(F)F)ncc21
InChIInChI=1S/C21H16F4N2O3/c22-15-4-2-1-3-13(15)19(5-6-19)18(29)27-8-7-20(11-27)14-9-16(21(23,24)25)26-10-12(14)17(28)30-20/h1-4,9-10H,5-8,11H2
InChIKeyBDGYBVMHMBPLFN-UHFFFAOYSA-N
MW420.36 g/mol
LogP3.57
Rot. Bonds2

About 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66662534) has the molecular formula C21H16F4N2O3 and a molecular weight of 420.36 g/mol. Its IUPAC name is 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66662534
Molecular FormulaC21H16F4N2O3
Molecular Weight420.36 g/mol
Exact Mass420.11
IUPAC Name1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)c2cc(C(F)(F)F)ncc21
InChIInChI=1S/C21H16F4N2O3/c22-15-4-2-1-3-13(15)19(5-6-19)18(29)27-8-7-20(11-27)14-9-16(21(23,24)25)26-10-12(14)17(28)30-20/h1-4,9-10H,5-8,11H2
InChIKeyBDGYBVMHMBPLFN-UHFFFAOYSA-N
XLogP3.57
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1'-[1-(4-chlorophenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 168292960
(1R)-1'-{[1-(4-pyridin-4-ylphenyl)cyclopropyl]carbonyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one
CID 66661645
N-methyl-4-[5-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]-2-pyridinyl]benzamide
CID 66661933
(3R)-1'-(1-pyridin-2-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66661983
N-methyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
CID 66661993
(3R)-1'-(1-pyridin-4-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662056
N,N-dimethyl-4-[5-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]-2-pyridinyl]benzamide
CID 66662163
N,N-dimethyl-6-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-3-carboxamide
CID 66662265
(1R)-1'-{[1-(6-Phenylpyridin-3-yl)cyclopropyl]carbonyl}-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-one
CID 66662296
(3R)-1'-(1-pyridin-3-ylcyclopropanecarbonyl)spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 66662503
N,N-dimethyl-5-[4-[1-[(1R)-3-oxospiro[2-benzofuran-1,3'-pyrrolidine]-1'-carbonyl]cyclopropyl]phenyl]pyridine-2-carboxamide
CID 66662666
(3R)-1'-[1-(4-pyridin-2-ylphenyl)cyclopropanecarbonyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 168281132

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66662534) is 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccccc4F)CC3)C2)c2cc(C(F)(F)F)ncc21.
What is the InChIKey of 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is BDGYBVMHMBPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O3/c22-15-4-2-1-3-13(15)19(5-6-19)18(29)27-8-7-20(11-27)14-9-16(21(23,24)25)26-10-12(14)17(28)30-20/h1-4,9-10H,5-8,11H2.
What are the key properties of 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 420.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(2-fluorophenyl)cyclopropanecarbonyl]-6-(trifluoromethyl)spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66662534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).