1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C21H18F2N2O4 — CID 66661719

IUPAC1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(OC(F)F)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C21H18F2N2O4/c22-19(23)28-14-3-1-13(2-4-14)20(6-7-20)18(27)25-10-8-21(12-25)16-5-9-24-11-15(16)17(26)29-21/h1-5,9,11,19H,6-8,10,12H2
InChIKeyGGCGNOJCWKWOJC-UHFFFAOYSA-N
MW400.38 g/mol
LogP3.01
Rot. Bonds4

About 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661719) has the molecular formula C21H18F2N2O4 and a molecular weight of 400.38 g/mol. Its IUPAC name is 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661719
Molecular FormulaC21H18F2N2O4
Molecular Weight400.38 g/mol
Exact Mass400.12
IUPAC Name1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(OC(F)F)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C21H18F2N2O4/c22-19(23)28-14-3-1-13(2-4-14)20(6-7-20)18(27)25-10-8-21(12-25)16-5-9-24-11-15(16)17(26)29-21/h1-5,9,11,19H,6-8,10,12H2
InChIKeyGGCGNOJCWKWOJC-UHFFFAOYSA-N
XLogP3.01
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661719) is 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(OC(F)F)cc4)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is GGCGNOJCWKWOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O4/c22-19(23)28-14-3-1-13(2-4-14)20(6-7-20)18(27)25-10-8-21(12-25)16-5-9-24-11-15(16)17(26)29-21/h1-5,9,11,19H,6-8,10,12H2.
What are the key properties of 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 400.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[4-(difluoromethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).