8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one

C26H32N6O — CID 71724523

About 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one

8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 71724523) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 71724523
• Molecular Formula: C26H32N6O
• Molecular Weight: 444.58 g/mol
• Exact Mass: 444.26
• IUPAC Name: 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one
• SMILES: CCn1cc(C2=CCCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2c1=O
• InChI: InChI=1S/C26H32N6O/c1-3-31-18-23(19-7-5-4-6-8-19)24-22(25(31)33)17-27-26(29-24)28-20-9-11-21(12-10-20)32-15-13-30(2)14-16-32/h7,9-12,17-18H,3-6,8,13-16H2,1-2H3,(H,27,28,29)
• InChIKey: LTRBTLMMISJIHT-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 66.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.58
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one (CID 71724523) is 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one is CCn1cc(C2=CCCCC2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2c1=O.

What is the InChIKey of 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?

The InChIKey is LTRBTLMMISJIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-3-31-18-23(19-7-5-4-6-8-19)24-22(25(31)33)17-27-26(29-24)28-20-9-11-21(12-10-20)32-15-13-30(2)14-16-32/h7,9-12,17-18H,3-6,8,13-16H2,1-2H3,(H,27,28,29).

What are the key properties of 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?

8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 444.58 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclohexen-1-yl)-6-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 71724523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).