(4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide

C26H31F2N3O5 — CID 170312099

IUPAC(4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide
SMILESC=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C(=C)/C=C(/C)C(=C)OC(C)C
InChIInChI=1S/C26H31F2N3O5/c1-15(2)36-19(6)17(4)13-18(5)26(27,28)25(35)29-14-16(3)7-8-20-11-12-31(24(20)34)21-9-10-22(32)30-23(21)33/h7-8,11,13,15,21H,3,5-6,9-10,12,14H2,1-2,4H3,(H,29,35)(H,30,32,33)/b8-7-,17-13-
InChIKeyGLZDYQWEXGHHQF-YTALYMLMSA-N
MW503.55 g/mol
LogP2.87
Rot. Bonds11

About (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide

(4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide (PubChem CID 170312099) has the molecular formula C26H31F2N3O5 and a molecular weight of 503.55 g/mol. Its IUPAC name is (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide
PubChem CID170312099
Molecular FormulaC26H31F2N3O5
Molecular Weight503.55 g/mol
Exact Mass503.22
IUPAC Name(4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide
SMILESC=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C(=C)/C=C(/C)C(=C)OC(C)C
InChIInChI=1S/C26H31F2N3O5/c1-15(2)36-19(6)17(4)13-18(5)26(27,28)25(35)29-14-16(3)7-8-20-11-12-31(24(20)34)21-9-10-22(32)30-23(21)33/h7-8,11,13,15,21H,3,5-6,9-10,12,14H2,1-2,4H3,(H,29,35)(H,30,32,33)/b8-7-,17-13-
InChIKeyGLZDYQWEXGHHQF-YTALYMLMSA-N
XLogP2.87
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.55
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide with MolForge

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Related Compounds

4-amino-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-5-methoxy-7-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 166077826
(4Z)-2,2-difluoro-6-(2-methoxyethoxy)-N-[2-[(E)-[1-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-3-methylidenehepta-4,6-dienamide
CID 170312000
(4E)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2-difluoro-3-methylidene-4-(2,2,2-trifluoroethoxy)hepta-4,6-dienamide
CID 170312034
(4E)-N-[(E)-5-[(2,6-dioxopiperidin-3-yl)-prop-2-enoylamino]-2-methylidenepent-3-enyl]-2,2-difluoro-3-methylidene-4-propan-2-yloxyhepta-4,6-dienamide
CID 170312055
(4Z)-N-[2-[(E)-[1-(2,6-dioxopiperidin-3-yl)-4-methylidene-5-oxopyrrolidin-3-ylidene]methyl]prop-2-enyl]-2,2-difluoro-4-methyl-3-methylidene-6-(trifluoromethoxy)hepta-4,6-dienamide
CID 170312115
(3Z,4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-3-(fluoromethylidene)-6-(trifluoromethoxy)hepta-4,6-dienamide
CID 170312117
(4E)-N-[(E)-3-[1-(2,6-dioxopiperidin-3-yl)-4-ethenyl-5-oxo-2H-pyrrol-3-yl]prop-2-enyl]-2,2-difluoro-4-(2-hydroxyethoxy)-3-methylidenehepta-4,6-dienamide
CID 170312227
(Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2,7-trifluoro-7-methyl-3,6-dimethylideneoct-4-enamide
CID 170312456
N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
CID 175630917
N-butyl-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methoxy-7-methyl-4-(methylamino)cyclohepta-1,3,6-triene-1-carboxamide
CID 175631403
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-fluoro-2-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 166077702
N-(2,6-dioxopiperidin-3-yl)-5-fluoro-4-methoxycyclohexa-1,5-diene-1-carboxamide
CID 171846991

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide?
The IUPAC name of (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide (CID 170312099) is (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide.
What is the SMILES notation for (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide?
The canonical SMILES for (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide is C=C(/C=C\C1=CCN(C2CCC(=O)NC2=O)C1=O)CNC(=O)C(F)(F)C(=C)/C=C(/C)C(=C)OC(C)C.
What is the InChIKey of (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide?
The InChIKey is GLZDYQWEXGHHQF-YTALYMLMSA-N. The full InChI is InChI=1S/C26H31F2N3O5/c1-15(2)36-19(6)17(4)13-18(5)26(27,28)25(35)29-14-16(3)7-8-20-11-12-31(24(20)34)21-9-10-22(32)30-23(21)33/h7-8,11,13,15,21H,3,5-6,9-10,12,14H2,1-2,4H3,(H,29,35)(H,30,32,33)/b8-7-,17-13-.
What are the key properties of (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide?
(4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide has a molecular weight of 503.55 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[(Z)-4-[1-(2,6-dioxopiperidin-3-yl)-5-oxo-2H-pyrrol-4-yl]-2-methylidenebut-3-enyl]-2,2-difluoro-5-methyl-3-methylidene-6-propan-2-yloxyhepta-4,6-dienamide is sourced from PubChem (CID 170312099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).