3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine

C25H29N5 — CID 143464869

IUPAC3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine
SMILESC=CC(/C=C(\C)c1cnc2c(Nc3cccc(NC)c3)nccn12)=C(/C)C/C=C\C
InChIInChI=1S/C25H29N5/c1-6-8-10-18(3)20(7-2)15-19(4)23-17-28-25-24(27-13-14-30(23)25)29-22-12-9-11-21(16-22)26-5/h6-9,11-17,26H,2,10H2,1,3-5H3,(H,27,29)/b8-6-,19-15+,20-18+
InChIKeyLBFSAPZIZMBRKI-DZPMSZGFSA-N
MW399.54 g/mol
LogP6.39
Rot. Bonds8

About 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine

3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine (PubChem CID 143464869) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine
PubChem CID143464869
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine
SMILESC=CC(/C=C(\C)c1cnc2c(Nc3cccc(NC)c3)nccn12)=C(/C)C/C=C\C
InChIInChI=1S/C25H29N5/c1-6-8-10-18(3)20(7-2)15-19(4)23-17-28-25-24(27-13-14-30(23)25)29-22-12-9-11-21(16-22)26-5/h6-9,11-17,26H,2,10H2,1,3-5H3,(H,27,29)/b8-6-,19-15+,20-18+
InChIKeyLBFSAPZIZMBRKI-DZPMSZGFSA-N
XLogP6.39
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine with MolForge

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Related Compounds

3-[(E)-1-[methyl(methylamino)amino]prop-1-en-2-yl]-N-(2-methyl-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460538
3-N-[3-[(Z)-1-(3-aminophenyl)-1-ethyliminobut-2-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-ethylbenzene-1,3-diamine
CID 143756340
3-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143464743
ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143460896
1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 143460831
3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328545
3-[(E)-1-[methyl-(methylideneamino)amino]prop-1-en-2-yl]-N-(2-prop-1-en-2-ylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 143461050
1-N-ethyl-3-N-[3-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine
CID 143460997
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane
CID 143461063
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
CID 143460963
3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
CID 143460922
N-[1-[1-(2,2-dimethoxyethyl)piperidin-4-yl]pyrazol-4-yl]-5-[(2E)-penta-2,4-dien-2-yl]imidazo[1,2-a]pyrazin-8-amine
CID 171820762

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine (CID 143464869) is 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine is C=CC(/C=C(\C)c1cnc2c(Nc3cccc(NC)c3)nccn12)=C(/C)C/C=C\C.
What is the InChIKey of 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine?
The InChIKey is LBFSAPZIZMBRKI-DZPMSZGFSA-N. The full InChI is InChI=1S/C25H29N5/c1-6-8-10-18(3)20(7-2)15-19(4)23-17-28-25-24(27-13-14-30(23)25)29-22-12-9-11-21(16-22)26-5/h6-9,11-17,26H,2,10H2,1,3-5H3,(H,27,29)/b8-6-,19-15+,20-18+.
What are the key properties of 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine?
3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine has a molecular weight of 399.54 g/mol, XLogP of 6.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 143464869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).