1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C23H17F3N4O4 — CID 66662093

IUPAC1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-c5nnc(C(F)(F)F)o5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C23H17F3N4O4/c24-23(25,26)19-29-28-17(33-19)13-1-3-14(4-2-13)21(6-7-21)20(32)30-10-8-22(12-30)16-5-9-27-11-15(16)18(31)34-22/h1-5,9,11H,6-8,10,12H2
InChIKeyILDLCWQLBPVMNK-UHFFFAOYSA-N
MW470.41 g/mol
LogP3.48
Rot. Bonds3

About 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66662093) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66662093
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC Name1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(-c5nnc(C(F)(F)F)o5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C23H17F3N4O4/c24-23(25,26)19-29-28-17(33-19)13-1-3-14(4-2-13)21(6-7-21)20(32)30-10-8-22(12-30)16-5-9-27-11-15(16)18(31)34-22/h1-5,9,11H,6-8,10,12H2
InChIKeyILDLCWQLBPVMNK-UHFFFAOYSA-N
XLogP3.48
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66662093) is 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(-c5nnc(C(F)(F)F)o5)cc4)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is ILDLCWQLBPVMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c24-23(25,26)19-29-28-17(33-19)13-1-3-14(4-2-13)21(6-7-21)20(32)30-10-8-22(12-30)16-5-9-27-11-15(16)18(31)34-22/h1-5,9,11H,6-8,10,12H2.
What are the key properties of 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 470.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66662093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).