2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol

C24H33N5O — CID 142511088

About 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol

2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol (PubChem CID 142511088) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
• PubChem CID: 142511088
• Molecular Formula: C24H33N5O
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.27
• IUPAC Name: 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
• SMILES: C=C(CC)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(N3CCN(CCO)CC3)C=CC2=N1
• InChI: InChI=1S/C24H33N5O/c1-6-18(2)19(3)15-22(25-5)23-16-20(4)29-17-21(7-8-24(29)26-23)28-11-9-27(10-12-28)13-14-30/h7-8,15-17,30H,2,4,6,9-14H2,1,3,5H3/b19-15+,25-22+
• InChIKey: RBMVLFJWMUPGBP-BBEDROARSA-N
• XLogP: 3.10
• TPSA: 54.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

The IUPAC name of 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol (CID 142511088) is 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol is C=C(CC)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(N3CCN(CCO)CC3)C=CC2=N1.

What is the InChIKey of 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

The InChIKey is RBMVLFJWMUPGBP-BBEDROARSA-N. The full InChI is InChI=1S/C24H33N5O/c1-6-18(2)19(3)15-22(25-5)23-16-20(4)29-17-21(7-8-24(29)26-23)28-11-9-27(10-12-28)13-14-30/h7-8,15-17,30H,2,4,6,9-14H2,1,3,5H3/b19-15+,25-22+.

What are the key properties of 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol has a molecular weight of 407.56 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-methylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 142511088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).