N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide

C29H35N9O — CID 71030091

About N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide

N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide (PubChem CID 71030091) has the molecular formula C29H35N9O and a molecular weight of 525.66 g/mol. Its IUPAC name is N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide
• PubChem CID: 71030091
• Molecular Formula: C29H35N9O
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.30
• IUPAC Name: N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide
• SMILES: CN1CCN(Cc2ccc(-c3cccc(C(=O)NN(c4ncnc5c4ncn5C)C4CCCC4)n3)cc2)CC1
• InChI: InChI=1S/C29H35N9O/c1-35-14-16-37(17-15-35)18-21-10-12-22(13-11-21)24-8-5-9-25(33-24)29(39)34-38(23-6-3-4-7-23)28-26-27(30-19-31-28)36(2)20-32-26/h5,8-13,19-20,23H,3-4,6-7,14-18H2,1-2H3,(H,34,39)
• InChIKey: DVHZRHYAIXBSPR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide?

The IUPAC name of N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide (CID 71030091) is N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide.

What is the SMILES notation for N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide?

The canonical SMILES for N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide is CN1CCN(Cc2ccc(-c3cccc(C(=O)NN(c4ncnc5c4ncn5C)C4CCCC4)n3)cc2)CC1.

What is the InChIKey of N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide?

The InChIKey is DVHZRHYAIXBSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N9O/c1-35-14-16-37(17-15-35)18-21-10-12-22(13-11-21)24-8-5-9-25(33-24)29(39)34-38(23-6-3-4-7-23)28-26-27(30-19-31-28)36(2)20-32-26/h5,8-13,19-20,23H,3-4,6-7,14-18H2,1-2H3,(H,34,39).

What are the key properties of N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide?

N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide has a molecular weight of 525.66 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-cyclopentyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N'-(9-methylpurin-6-yl)pyridine-2-carbohydrazide is sourced from PubChem (CID 71030091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).