(6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone

C25H35N7O2 — CID 122333876

About (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone

(6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 122333876) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
• PubChem CID: 122333876
• Molecular Formula: C25H35N7O2
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.29
• IUPAC Name: (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
• SMILES: Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(OC4CCCC4)nc3)CC2)n1
• InChI: InChI=1S/C25H35N7O2/c1-19-17-22(30-11-9-29(2)10-12-30)28-25(27-19)32-15-13-31(14-16-32)24(33)20-7-8-23(26-18-20)34-21-5-3-4-6-21/h7-8,17-18,21H,3-6,9-16H2,1-2H3
• InChIKey: JPXCTFTXKYSOIG-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 77.93 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 122333876) is (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(OC4CCCC4)nc3)CC2)n1.

What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The InChIKey is JPXCTFTXKYSOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-19-17-22(30-11-9-29(2)10-12-30)28-25(27-19)32-15-13-31(14-16-32)24(33)20-7-8-23(26-18-20)34-21-5-3-4-6-21/h7-8,17-18,21H,3-6,9-16H2,1-2H3.

What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone?

(6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 465.60 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6-cyclopentyloxy-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122333876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).