2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol

C34H50N4O — CID 142511171

About 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol

2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol (PubChem CID 142511171) has the molecular formula C34H50N4O and a molecular weight of 530.80 g/mol. Its IUPAC name is 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
• PubChem CID: 142511171
• Molecular Formula: C34H50N4O
• Molecular Weight: 530.80 g/mol
• Exact Mass: 530.40
• IUPAC Name: 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol
• SMILES: C=C(C)/C(=C(/C=C(/C)C(C)CC)\C=C(/C)C1=CC(=C)N2C=C(N3CCN(CCO)CC3)C=CC2=N1)C(C)CC
• InChI: InChI=1S/C34H50N4O/c1-10-25(5)27(7)20-30(34(24(3)4)26(6)11-2)21-28(8)32-22-29(9)38-23-31(12-13-33(38)35-32)37-16-14-36(15-17-37)18-19-39/h12-13,20-23,25-26,39H,3,9-11,14-19H2,1-2,4-8H3/b27-20-,28-21+,34-30-
• InChIKey: OSZVRUFIUIVBJY-CMKFDZEOSA-N
• XLogP: 6.98
• TPSA: 42.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.80
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

The IUPAC name of 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol (CID 142511171) is 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol is C=C(C)/C(=C(/C=C(/C)C(C)CC)\C=C(/C)C1=CC(=C)N2C=C(N3CCN(CCO)CC3)C=CC2=N1)C(C)CC.

What is the InChIKey of 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

The InChIKey is OSZVRUFIUIVBJY-CMKFDZEOSA-N. The full InChI is InChI=1S/C34H50N4O/c1-10-25(5)27(7)20-30(34(24(3)4)26(6)11-2)21-28(8)32-22-29(9)38-23-31(12-13-33(38)35-32)37-16-14-36(15-17-37)18-19-39/h12-13,20-23,25-26,39H,3,9-11,14-19H2,1-2,4-8H3/b27-20-,28-21+,34-30-.

What are the key properties of 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol?

2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol has a molecular weight of 530.80 g/mol, XLogP of 6.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(2E,4E,5Z)-6,7-dimethyl-4-(2-methyl-1-prop-1-en-2-ylbutylidene)nona-2,5-dien-2-yl]-4-methylidenepyrido[1,2-a]pyrimidin-7-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 142511171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).