(E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine

C26H25F3N4O2 — CID 24890863

IUPAC(E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine
SMILESFCCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1
InChIInChI=1S/C26H25F3N4O2/c27-8-12-35-32-25(19-2-3-22(28)23(29)13-19)24-4-1-18(14-31-24)16-33-10-6-26(7-11-33)21-15-30-9-5-20(21)17-34-26/h1-5,9,13-15H,6-8,10-12,16-17H2/b32-25+
InChIKeyUMYGISBSTPTHLM-WGPBWIAQSA-N
MW482.51 g/mol
LogP4.51
Rot. Bonds7

About (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine

(E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine (PubChem CID 24890863) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine.

Molecular Properties

Compound Name(E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine
PubChem CID24890863
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name(E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine
SMILESFCCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1
InChIInChI=1S/C26H25F3N4O2/c27-8-12-35-32-25(19-2-3-22(28)23(29)13-19)24-4-1-18(14-31-24)16-33-10-6-26(7-11-33)21-15-30-9-5-20(21)17-34-26/h1-5,9,13-15H,6-8,10-12,16-17H2/b32-25+
InChIKeyUMYGISBSTPTHLM-WGPBWIAQSA-N
XLogP4.51
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine?
The IUPAC name of (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine (CID 24890863) is (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine.
What is the SMILES notation for (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine?
The canonical SMILES for (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine is FCCO/N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1.
What is the InChIKey of (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine?
The InChIKey is UMYGISBSTPTHLM-WGPBWIAQSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c27-8-12-35-32-25(19-2-3-22(28)23(29)13-19)24-4-1-18(14-31-24)16-33-10-6-26(7-11-33)21-15-30-9-5-20(21)17-34-26/h1-5,9,13-15H,6-8,10-12,16-17H2/b32-25+.
What are the key properties of (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine?
(E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine has a molecular weight of 482.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3,4-difluorophenyl)-N-(2-fluoroethoxy)-1-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methanimine is sourced from PubChem (CID 24890863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).