(4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone

C26H30N6O — CID 67214224

About (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone

(4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone (PubChem CID 67214224) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone.

Molecular Properties

• Compound Name: (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone
• PubChem CID: 67214224
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone
• SMILES: Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1Nc1nccc(-c2cccnc2)n1
• InChI: InChI=1S/C26H30N6O/c1-19-8-9-20(25(33)32-15-13-31(14-16-32)22-6-2-3-7-22)17-24(19)30-26-28-12-10-23(29-26)21-5-4-11-27-18-21/h4-5,8-12,17-18,22H,2-3,6-7,13-16H2,1H3,(H,28,29,30)
• InChIKey: JXFJNSXCLWQYHO-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone?

The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone (CID 67214224) is (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone.

What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone?

The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone is Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1Nc1nccc(-c2cccnc2)n1.

What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone?

The InChIKey is JXFJNSXCLWQYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-19-8-9-20(25(33)32-15-13-31(14-16-32)22-6-2-3-7-22)17-24(19)30-26-28-12-10-23(29-26)21-5-4-11-27-18-21/h4-5,8-12,17-18,22H,2-3,6-7,13-16H2,1H3,(H,28,29,30).

What are the key properties of (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone?

(4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone has a molecular weight of 442.57 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclopentylpiperazin-1-yl)-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]methanone is sourced from PubChem (CID 67214224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).