2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

C30H40N4O — CID 142511344

About 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one

2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 142511344) has the molecular formula C30H40N4O and a molecular weight of 472.68 g/mol. Its IUPAC name is 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 142511344
• Molecular Formula: C30H40N4O
• Molecular Weight: 472.68 g/mol
• Exact Mass: 472.32
• IUPAC Name: 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
• SMILES: C=C(C)C1=C(/C=C(/C)C(C)CC)C=C(c2cc(=O)n3cc(N4CCN(C)CC4)ccc3n2)C(C)C1
• InChI: InChI=1S/C30H40N4O/c1-8-21(4)22(5)15-24-17-27(23(6)16-26(24)20(2)3)28-18-30(35)34-19-25(9-10-29(34)31-28)33-13-11-32(7)12-14-33/h9-10,15,17-19,21,23H,2,8,11-14,16H2,1,3-7H3/b22-15-
• InChIKey: XANQQCUJRBVUPZ-JCMHNJIXSA-N
• XLogP: 5.73
• TPSA: 40.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.68
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one (CID 142511344) is 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is C=C(C)C1=C(/C=C(/C)C(C)CC)C=C(c2cc(=O)n3cc(N4CCN(C)CC4)ccc3n2)C(C)C1.

What is the InChIKey of 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

The InChIKey is XANQQCUJRBVUPZ-JCMHNJIXSA-N. The full InChI is InChI=1S/C30H40N4O/c1-8-21(4)22(5)15-24-17-27(23(6)16-26(24)20(2)3)28-18-30(35)34-19-25(9-10-29(34)31-28)33-13-11-32(7)12-14-33/h9-10,15,17-19,21,23H,2,8,11-14,16H2,1,3-7H3/b22-15-.

What are the key properties of 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one?

2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 472.68 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(Z)-2,3-dimethylpent-1-enyl]-6-methyl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl]-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142511344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).