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

C24H31N5 — CID 142511302

IUPAC(2E)-1-(4-cyclobutylidene-7-piperazin-1-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(N3CCNCC3)C=CC2=N1
InChIInChI=1S/C24H31N5/c1-17(2)18(3)14-21(25-4)22-15-23(19-6-5-7-19)29-16-20(8-9-24(29)27-22)28-12-10-26-11-13-28/h8-9,14-16,26H,1,5-7,10-13H2,2-4H3/b18-14+,25-21+
InChIKeyOSAJQDKEFSLAFP-WOIJOENLSA-N
MW389.55 g/mol
LogP3.93
Rot. Bonds4

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

(2E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine (PubChem CID 142511302) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is (2E)-1-(4-cyclobutylidene-7-piperazin-1-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-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine
PubChem CID142511302
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name(2E)-1-(4-cyclobutylidene-7-piperazin-1-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(N3CCNCC3)C=CC2=N1
InChIInChI=1S/C24H31N5/c1-17(2)18(3)14-21(25-4)22-15-23(19-6-5-7-19)29-16-20(8-9-24(29)27-22)28-12-10-26-11-13-28/h8-9,14-16,26H,1,5-7,10-13H2,2-4H3/b18-14+,25-21+
InChIKeyOSAJQDKEFSLAFP-WOIJOENLSA-N
XLogP3.93
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

(3Z,5Z)-N-[(2E,4E,6E)-7-fluoro-4,8-dimethyl-2-[(6E)-5-methylidene-6-[(E)-2-(6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidin-2-yl)but-2-enylidene]-2-pyridinyl]nona-2,4,6,8-tetraen-3-yl]hepta-3,5-dien-2-imine
CID 156403874
1-(4-Methyl-5,6-dimethylidene-2-pyridinyl)piperazine
CID 123234443
1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
(3E)-5-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-5-methyliminopenta-1,3-dien-3-amine
CID 142085184
(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
(E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,5-trimethyl-4-methylidenehept-2-en-1-imine
CID 142510943
(E)-1-[4-cyclobutylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehept-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142510967
4-Cyclopropylidene-2-(1,2-dihydropyridin-5-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidine
CID 142510978
(E)-1-[4-cyclobutylidene-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511027
(2E)-1-[4-cyclopropylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511187
(Z)-2-[4-cyclobutylidene-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-2-yl]-3-iminoprop-1-en-1-amine
CID 142511242
(2E)-1-[4-cyclobutylidene-9-methyl-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511246

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-cyclobutylidene-7-piperazin-1-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-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine (CID 142511302) is (2E)-1-(4-cyclobutylidene-7-piperazin-1-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-piperazin-1-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-piperazin-1-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(N3CCNCC3)C=CC2=N1.
What is the InChIKey of (2E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine?
The InChIKey is OSAJQDKEFSLAFP-WOIJOENLSA-N. The full InChI is InChI=1S/C24H31N5/c1-17(2)18(3)14-21(25-4)22-15-23(19-6-5-7-19)29-16-20(8-9-24(29)27-22)28-12-10-26-11-13-28/h8-9,14-16,26H,1,5-7,10-13H2,2-4H3/b18-14+,25-21+.
What are the key properties of (2E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine?
(2E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine has a molecular weight of 389.55 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142511302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).