1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine

C25H23F3N4O2 — CID 91295250

IUPAC1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine
SMILESCON=C(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C25H23F3N4O2/c1-33-31-24(16-3-5-21(26)22(27)10-16)17-2-4-19(29-12-17)14-32-8-6-25(7-9-32)20-13-30-23(28)11-18(20)15-34-25/h2-5,10-13H,6-9,14-15H2,1H3
InChIKeySWCCAMAWSJCXTI-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.31
Rot. Bonds5

About 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine

1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine (PubChem CID 91295250) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine
PubChem CID91295250
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC Name1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine
SMILESCON=C(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C25H23F3N4O2/c1-33-31-24(16-3-5-21(26)22(27)10-16)17-2-4-19(29-12-17)14-32-8-6-25(7-9-32)20-13-30-23(28)11-18(20)15-34-25/h2-5,10-13H,6-9,14-15H2,1H3
InChIKeySWCCAMAWSJCXTI-UHFFFAOYSA-N
XLogP4.31
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 24762415
(Z)-1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]-N-methoxymethanimine
CID 45487668
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanimine
CID 45487671
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[5-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]methanimine
CID 45487674
1-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 57402299
2'-(5-fluoro-1-methylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 15176172
(NE)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 44555375
1'-[[6-[(Z)-C-(3,4-difluorophenyl)-N-ethoxycarbonimidoyl]-3-pyridinyl]methyl]-5-methylspiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-6-one
CID 45487653
5-(4-chloro-2-pyridinyl)-1'-[1-(5-fluoro-2-pyridinyl)ethyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
CID 57400493
1'-[[6-[(E)-C-(3,4-difluorophenyl)-N-ethoxycarbonimidoyl]-3-pyridinyl]methyl]-5-methylspiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-6-one
CID 24890862
1'-[(3-pyridin-2-ylphenyl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561300
1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]ethanol
CID 45487640

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine?
The IUPAC name of 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine (CID 91295250) is 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine?
The canonical SMILES for 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine is CON=C(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine?
The InChIKey is SWCCAMAWSJCXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c1-33-31-24(16-3-5-21(26)22(27)10-16)17-2-4-19(29-12-17)14-32-8-6-25(7-9-32)20-13-30-23(28)11-18(20)15-34-25/h2-5,10-13H,6-9,14-15H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine?
1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine has a molecular weight of 468.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1-[6-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]-3-pyridinyl]-N-methoxymethanimine is sourced from PubChem (CID 91295250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).