(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

C26H25F3N4O2 — CID 45487674

IUPAC(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
SMILESCCO/N=C(/c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cn1
InChIInChI=1S/C26H25F3N4O2/c1-2-35-32-25(18-4-5-21(27)22(28)11-18)23-6-3-17(13-30-23)15-33-9-7-26(8-10-33)20-14-31-24(29)12-19(20)16-34-26/h3-6,11-14H,2,7-10,15-16H2,1H3/b32-25-
InChIKeyRAVKUBUGSJSXIV-MKCFTUBBSA-N
MW482.51 g/mol
LogP4.70
Rot. Bonds6

About (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

(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 (PubChem CID 45487674) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID45487674
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name(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
SMILESCCO/N=C(/c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cn1
InChIInChI=1S/C26H25F3N4O2/c1-2-35-32-25(18-4-5-21(27)22(28)11-18)23-6-3-17(13-30-23)15-33-9-7-26(8-10-33)20-14-31-24(29)12-19(20)16-34-26/h3-6,11-14H,2,7-10,15-16H2,1H3/b32-25-
InChIKeyRAVKUBUGSJSXIV-MKCFTUBBSA-N
XLogP4.70
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.70
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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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCO/N=C(/c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc23)cn1.
What is the InChIKey of (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?
The InChIKey is RAVKUBUGSJSXIV-MKCFTUBBSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-2-35-32-25(18-4-5-21(27)22(28)11-18)23-6-3-17(13-30-23)15-33-9-7-26(8-10-33)20-14-31-24(29)12-19(20)16-34-26/h3-6,11-14H,2,7-10,15-16H2,1H3/b32-25-.
What are the key properties of (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?
(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 has a molecular weight of 482.51 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 45487674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).