(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine

C22H29N5 — CID 142511433

IUPAC(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(N3CC(C)NC(C)C3)C=CC2=N1
InChIInChI=1S/C22H29N5/c1-7-15(2)10-20(23-6)21-11-18(5)27-14-19(8-9-22(27)25-21)26-12-16(3)24-17(4)13-26/h7-11,14,16-17,24H,1,5,12-13H2,2-4,6H3/b15-10+,23-20+
InChIKeyGSJLGUOGIJRVLG-NSFTWKFUSA-N
MW363.51 g/mol
LogP3.39
Rot. Bonds4

About (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine

(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine (PubChem CID 142511433) has the molecular formula C22H29N5 and a molecular weight of 363.51 g/mol. Its IUPAC name is (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine
PubChem CID142511433
Molecular FormulaC22H29N5
Molecular Weight363.51 g/mol
Exact Mass363.24
IUPAC Name(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(N3CC(C)NC(C)C3)C=CC2=N1
InChIInChI=1S/C22H29N5/c1-7-15(2)10-20(23-6)21-11-18(5)27-14-19(8-9-22(27)25-21)26-12-16(3)24-17(4)13-26/h7-11,14,16-17,24H,1,5,12-13H2,2-4,6H3/b15-10+,23-20+
InChIKeyGSJLGUOGIJRVLG-NSFTWKFUSA-N
XLogP3.39
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.39
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-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-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
(E)-1-[(4E)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-4-propylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 142511318
N-[[3-[(Z)-but-1-enyl]imino-6-fluoro-4-iminocyclohexa-1,5-dien-1-yl]methyl]-4-(3-methylpiperazin-1-yl)-1,2-dihydropyridin-5-amine
CID 168936858
N-[[3-[(Z)-but-1-enyl]imino-6-fluoro-4-iminocyclohexa-1,5-dien-1-yl]methyl]-4-(2-methylpiperazin-1-yl)-1,2-dihydropyridin-5-amine
CID 168937349
4-(7-Methyl-8,8a-dihydro-1,8-naphthyridin-2-yl)-2-propan-2-ylpiperazin-1-amine
CID 132195962
2,3-dimethyl-5-(4-methylpiperazin-1-yl)-N-propan-2-yl-3,4-dihydropyrimido[1,2-a]quinoxalin-9-imine
CID 136627710
2,3,4,10a-tetrahydro-1H-pyrazino[1,2-a]quinazoline
CID 141050651
(3E)-5-[4-[(4-methylcyclohexa-1,5-dien-1-yl)methyl]piperazin-1-yl]-5-methyliminopenta-1,3-dien-3-amine
CID 142085184
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
(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

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine (CID 142511433) is (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine is C=C/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(N3CC(C)NC(C)C3)C=CC2=N1.
What is the InChIKey of (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine?
The InChIKey is GSJLGUOGIJRVLG-NSFTWKFUSA-N. The full InChI is InChI=1S/C22H29N5/c1-7-15(2)10-20(23-6)21-11-18(5)27-14-19(8-9-22(27)25-21)26-12-16(3)24-17(4)13-26/h7-11,14,16-17,24H,1,5,12-13H2,2-4,6H3/b15-10+,23-20+.
What are the key properties of (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine?
(2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine has a molecular weight of 363.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[7-(3,5-dimethylpiperazin-1-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethylpenta-2,4-dien-1-imine is sourced from PubChem (CID 142511433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).