1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C23H24N2O5 — CID 66662614

IUPAC1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCOCCOc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnccc34)CC2)cc1
InChIInChI=1S/C23H24N2O5/c1-28-12-13-29-17-4-2-16(3-5-17)22(7-8-22)21(27)25-11-9-23(15-25)19-6-10-24-14-18(19)20(26)30-23/h2-6,10,14H,7-9,11-13,15H2,1H3
InChIKeyIARRBAQENYMIGP-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.44
Rot. Bonds6

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

1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66662614) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66662614
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESCOCCOc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnccc34)CC2)cc1
InChIInChI=1S/C23H24N2O5/c1-28-12-13-29-17-4-2-16(3-5-17)22(7-8-22)21(27)25-11-9-23(15-25)19-6-10-24-14-18(19)20(26)30-23/h2-6,10,14H,7-9,11-13,15H2,1H3
InChIKeyIARRBAQENYMIGP-UHFFFAOYSA-N
XLogP2.44
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1'-[1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661765
1'-[1-[4-(oxan-4-yloxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661812
1'-[1-(4-cyclobutylphenyl)cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66991988
1'-[1-[4-(4-propanoylpiperazin-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662626
1'-[1-[4-(2-methylimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662221
3-oxo-1'-[1-[4-[(sulfinoamino)methyl]phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]
CID 118205758
1'-[1-[4-(3-aminopyrazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662258
1'-[1-[4-(3-methyl-2-oxobenzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66661670
propan-2-yl 4-[4-[1-(3-oxospiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-1'-carbonyl)cyclopropyl]phenyl]piperidine-1-carboxylate
CID 66991541
1'-[1-[4-(benzimidazol-1-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662286
(1R)-1'-[1-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662382
1'-[1-[4-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
CID 66662458

Frequently Asked Questions

What is the IUPAC name of 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66662614) is 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is COCCOc1ccc(C2(C(=O)N3CCC4(C3)OC(=O)c3cnccc34)CC2)cc1.
What is the InChIKey of 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is IARRBAQENYMIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-28-12-13-29-17-4-2-16(3-5-17)22(7-8-22)21(27)25-11-9-23(15-25)19-6-10-24-14-18(19)20(26)30-23/h2-6,10,14H,7-9,11-13,15H2,1H3.
What are the key properties of 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 408.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[4-(2-methoxyethoxy)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66662614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).