1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one

C30H27F2N3O2 — CID 66873195

IUPAC1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1C(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C30H27F2N3O2/c31-26-9-8-23(17-27(26)32)29(35-14-2-1-3-28(35)36)22-6-4-21(5-7-22)19-34-15-11-30(12-16-34)25-18-33-13-10-24(25)20-37-30/h1-10,13-14,17-18,29H,11-12,15-16,19-20H2
InChIKeyFDWOTSLTXFYQIC-UHFFFAOYSA-N
MW499.56 g/mol
LogP5.18
Rot. Bonds5

About 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one

1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one (PubChem CID 66873195) has the molecular formula C30H27F2N3O2 and a molecular weight of 499.56 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one
PubChem CID66873195
Molecular FormulaC30H27F2N3O2
Molecular Weight499.56 g/mol
Exact Mass499.21
IUPAC Name1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one
SMILESO=c1ccccn1C(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C30H27F2N3O2/c31-26-9-8-23(17-27(26)32)29(35-14-2-1-3-28(35)36)22-6-4-21(5-7-22)19-34-15-11-30(12-16-34)25-18-33-13-10-24(25)20-37-30/h1-10,13-14,17-18,29H,11-12,15-16,19-20H2
InChIKeyFDWOTSLTXFYQIC-UHFFFAOYSA-N
XLogP5.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.56
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[[4-[chloro-(3,4-difluorophenyl)methyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 66873181
N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 66873108
N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide
CID 66873139
N-[(E)-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methylidene]amino]-N-methylacetamide
CID 87616402
(R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
CID 87186358
(S)-N-[(1R)-1-(3,4-difluorophenyl)-2,2-difluoro-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]ethyl]-2-methylpropane-2-sulfinamide
CID 123707733
N-[(E)-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649970
N-[[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649971
2-(3,4-difluorophenyl)-N-methyl-2-phenyl-N-(3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropyl)acetamide
CID 10413283
3-[[(3,4-difluorophenyl)-[5-[(5-methyl-6-oxospiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]methylidene]amino]oxypropanenitrile
CID 91135668
(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one
CID 166307470
1'-[(3,4-diethoxyphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 78321289

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one (CID 66873195) is 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one is O=c1ccccn1C(c1ccc(CN2CCC3(CC2)OCc2ccncc23)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one?
The InChIKey is FDWOTSLTXFYQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N3O2/c31-26-9-8-23(17-27(26)32)29(35-14-2-1-3-28(35)36)22-6-4-21(5-7-22)19-34-15-11-30(12-16-34)25-18-33-13-10-24(25)20-37-30/h1-10,13-14,17-18,29H,11-12,15-16,19-20H2.
What are the key properties of 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one?
1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one has a molecular weight of 499.56 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 66873195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).