(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine

C25H32N4 — CID 142511250

IUPAC(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(C3CCNCC3)C=CC2=N1
InChIInChI=1S/C25H32N4/c1-17(2)18(3)14-22(26-4)23-15-24(20-6-5-7-20)29-16-21(8-9-25(29)28-23)19-10-12-27-13-11-19/h8-9,14-16,19,27H,1,5-7,10-13H2,2-4H3/b18-14+,26-22+
InChIKeyVHPYHPWJRSWKJF-YKHOTUSVSA-N
MW388.56 g/mol
LogP5.07
Rot. Bonds4

About (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine

(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine (PubChem CID 142511250) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine
PubChem CID142511250
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(C3CCNCC3)C=CC2=N1
InChIInChI=1S/C25H32N4/c1-17(2)18(3)14-22(26-4)23-15-24(20-6-5-7-20)29-16-21(8-9-25(29)28-23)19-10-12-27-13-11-19/h8-9,14-16,19,27H,1,5-7,10-13H2,2-4H3/b18-14+,26-22+
InChIKeyVHPYHPWJRSWKJF-YKHOTUSVSA-N
XLogP5.07
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine with MolForge

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Related Compounds

N-[2-[(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)methylamino]cyclohexa-1,3-dien-1-yl]-N'-(piperidin-4-ylmethyl)ethanimidamide
CID 141922537
(E)-1-[4-cyclobutylidene-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 142511335
N-[(1Z)-1-(6-ethenylcyclohexa-2,4-dien-1-ylidene)but-2-en-2-yl]-6-[(1-methylpiperidin-4-yl)methyl]-2,4a,5,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-amine
CID 91067657
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
[1-[C-(6-methyl-2,3-dihydropyrazin-5-yl)-N-[1-(4-piperidin-1-ylcyclohepta-1,3,5-trien-1-yl)ethyl]carbonimidoyl]piperidin-4-yl]methanamine
CID 132038402
7-[4-[2-cyclobutylethyl(propyl)amino]cyclohepta-1,3,5-trien-1-yl]-N-methyl-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132038449
N-methyl-7-[(2E,4Z)-6-(1-methylpiperidin-4-yl)hepta-2,4,6-trien-3-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132039311
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
N-ethenyl-6-ethyl-4-[(E)-2,3,3-trimethyl-1-[2-methylidene-3-(4-methylidenepiperidin-1-yl)pyrazin-1-yl]but-1-enyl]cyclohexa-1,5-dien-1-amine
CID 139506711
ethane;N-[2-[(4-fluoro-6-methylcyclohexa-2,4-dien-1-yl)methylamino]cyclohexa-1,3-dien-1-yl]-N'-(piperidin-4-ylmethyl)ethanimidamide
CID 141922536
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N-ethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510937
(E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,5-trimethyl-4-methylidenehept-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene;ethane
CID 142510942

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine (CID 142511250) is (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine is C=C(C)/C(C)=C/C(=N\C)C1=CC(=C2CCC2)N2C=C(C3CCNCC3)C=CC2=N1.
What is the InChIKey of (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine?
The InChIKey is VHPYHPWJRSWKJF-YKHOTUSVSA-N. The full InChI is InChI=1S/C25H32N4/c1-17(2)18(3)14-22(26-4)23-15-24(20-6-5-7-20)29-16-21(8-9-25(29)28-23)19-10-12-27-13-11-19/h8-9,14-16,19,27H,1,5-7,10-13H2,2-4H3/b18-14+,26-22+.
What are the key properties of (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine?
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine has a molecular weight of 388.56 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142511250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).