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

C28H23F3N2O5 — CID 66661765

IUPAC1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(OCc5ccc(OC(F)(F)F)cc5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C28H23F3N2O5/c29-28(30,31)37-21-5-1-18(2-6-21)16-36-20-7-3-19(4-8-20)26(10-11-26)25(35)33-14-12-27(17-33)23-9-13-32-15-22(23)24(34)38-27/h1-9,13,15H,10-12,14,16-17H2
InChIKeyHKQWSNBNKQSXJB-UHFFFAOYSA-N
MW524.50 g/mol
LogP4.89
Rot. Bonds6

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

1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661765) has the molecular formula C28H23F3N2O5 and a molecular weight of 524.50 g/mol. Its IUPAC name is 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661765
Molecular FormulaC28H23F3N2O5
Molecular Weight524.50 g/mol
Exact Mass524.16
IUPAC Name1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(OCc5ccc(OC(F)(F)F)cc5)cc4)CC3)C2)c2ccncc21
InChIInChI=1S/C28H23F3N2O5/c29-28(30,31)37-21-5-1-18(2-6-21)16-36-20-7-3-19(4-8-20)26(10-11-26)25(35)33-14-12-27(17-33)23-9-13-32-15-22(23)24(34)38-27/h1-9,13,15H,10-12,14,16-17H2
InChIKeyHKQWSNBNKQSXJB-UHFFFAOYSA-N
XLogP4.89
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661765) is 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(OCc5ccc(OC(F)(F)F)cc5)cc4)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is HKQWSNBNKQSXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N2O5/c29-28(30,31)37-21-5-1-18(2-6-21)16-36-20-7-3-19(4-8-20)26(10-11-26)25(35)33-14-12-27(17-33)23-9-13-32-15-22(23)24(34)38-27/h1-9,13,15H,10-12,14,16-17H2.
What are the key properties of 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 524.50 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).