5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide

C26H26F2N4O4 — CID 131997562

IUPAC5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide
SMILESC=N/C(=C\C1=C(C)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C12CC2)c1ccc(C(=O)NC)nc1
InChIInChI=1S/C26H26F2N4O4/c1-14-13-32(23-21(27)19(35-4)11-20(36-5)22(23)28)25(34)26(8-9-26)16(14)10-18(29-2)15-6-7-17(31-12-15)24(33)30-3/h6-7,10-12H,2,8-9,13H2,1,3-5H3,(H,30,33)/b18-10-
InChIKeyFSUIIBKKCUADNH-ZDLGFXPLSA-N
MW496.51 g/mol
LogP3.92
Rot. Bonds7

About 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide

5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide (PubChem CID 131997562) has the molecular formula C26H26F2N4O4 and a molecular weight of 496.51 g/mol. Its IUPAC name is 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide
PubChem CID131997562
Molecular FormulaC26H26F2N4O4
Molecular Weight496.51 g/mol
Exact Mass496.19
IUPAC Name5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide
SMILESC=N/C(=C\C1=C(C)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C12CC2)c1ccc(C(=O)NC)nc1
InChIInChI=1S/C26H26F2N4O4/c1-14-13-32(23-21(27)19(35-4)11-20(36-5)22(23)28)25(34)26(8-9-26)16(14)10-18(29-2)15-6-7-17(31-12-15)24(33)30-3/h6-7,10-12H,2,8-9,13H2,1,3-5H3,(H,30,33)/b18-10-
InChIKeyFSUIIBKKCUADNH-ZDLGFXPLSA-N
XLogP3.92
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-8-[(Z)-2-(methylideneamino)-2-[3-(morpholin-4-ylmethyl)-5-nitrophenyl]ethenyl]-5-azaspiro[2.5]oct-7-en-4-one
CID 126625221
5-[3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-2-oxo-4H-pyrido[4,3-d]pyrimidin-7-yl]-N-methylpyridine-2-carboxamide
CID 122474382
N-[(Z)-3-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-1-methyliminobut-2-en-2-yl]prop-2-enamide
CID 145142595
N-[[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]methyl]prop-2-enamide
CID 122477605
6-(2,6-difluoro-3,5-dimethoxyphenyl)-2-[2-methyl-5-(2-oxobut-3-enyl)phenyl]spiro[5H-pyrido[4,3-d]pyrimidine-8,1'-cyclopropane]-7-one
CID 147427921
N-[4-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]-2-pyridinyl]prop-2-enamide
CID 122477032
N-[3-[7-(2,6-difluoro-3,5-dimethoxyphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-yl]phenyl]prop-2-enamide
CID 122482564
6-[(Z)-2-amino-2-(methylideneamino)ethenyl]-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,5-dimethyl-4H-pyrimidin-2-one
CID 166896590
6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
CID 86301630
tert-butyl 7-(2,6-difluoro-3,5-dimethoxyphenyl)-3-methyl-8-oxospiro[6H-pyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylate
CID 123327795
7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
CID 86705715
benzene;7-(2,6-difluoro-3-methoxy-5-methylphenyl)-6-oxospiro[8H-2,7-naphthyridine-5,1'-cyclopropane]-3-carbonitrile
CID 159744673

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide (CID 131997562) is 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide is C=N/C(=C\C1=C(C)CN(c2c(F)c(OC)cc(OC)c2F)C(=O)C12CC2)c1ccc(C(=O)NC)nc1.
What is the InChIKey of 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is FSUIIBKKCUADNH-ZDLGFXPLSA-N. The full InChI is InChI=1S/C26H26F2N4O4/c1-14-13-32(23-21(27)19(35-4)11-20(36-5)22(23)28)25(34)26(8-9-26)16(14)10-18(29-2)15-6-7-17(31-12-15)24(33)30-3/h6-7,10-12H,2,8-9,13H2,1,3-5H3,(H,30,33)/b18-10-.
What are the key properties of 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide?
5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-[5-(2,6-difluoro-3,5-dimethoxyphenyl)-7-methyl-4-oxo-5-azaspiro[2.5]oct-7-en-8-yl]-1-(methylideneamino)ethenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 131997562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).