[(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C23H32F3N5O4 — CID 70953796

About [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

[(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 70953796) has the molecular formula C23H32F3N5O4 and a molecular weight of 499.53 g/mol. Its IUPAC name is [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
• PubChem CID: 70953796
• Molecular Formula: C23H32F3N5O4
• Molecular Weight: 499.53 g/mol
• Exact Mass: 499.24
• IUPAC Name: [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
• SMILES: COCC1=C(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C[C@H](NC2CCOCC2OC)C1
• InChI: InChI=1S/C23H32F3N5O4/c1-33-13-15-11-16(28-18-4-10-35-14-19(18)34-2)12-17(15)21(32)30-6-8-31(9-7-30)22-27-5-3-20(29-22)23(24,25)26/h3,5,16,18-19,28H,4,6-14H2,1-2H3/t16-,18?,19?/m1/s1
• InChIKey: MNZXBKOQPHKIRH-IPJUCJBFSA-N
• XLogP: 1.64
• TPSA: 89.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.53
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The IUPAC name of [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 70953796) is [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

What is the SMILES notation for [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The canonical SMILES for [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is COCC1=C(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C[C@H](NC2CCOCC2OC)C1.

What is the InChIKey of [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

The InChIKey is MNZXBKOQPHKIRH-IPJUCJBFSA-N. The full InChI is InChI=1S/C23H32F3N5O4/c1-33-13-15-11-16(28-18-4-10-35-14-19(18)34-2)12-17(15)21(32)30-6-8-31(9-7-30)22-27-5-3-20(29-22)23(24,25)26/h3,5,16,18-19,28H,4,6-14H2,1-2H3/t16-,18?,19?/m1/s1.

What are the key properties of [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?

[(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 499.53 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R)-2-(methoxymethyl)-4-[(3-methoxyoxan-4-yl)amino]cyclopenten-1-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 70953796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).