N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

C17H16F3N7O — CID 139358525

About N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide

N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (PubChem CID 139358525) has the molecular formula C17H16F3N7O and a molecular weight of 391.36 g/mol. Its IUPAC name is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
• PubChem CID: 139358525
• Molecular Formula: C17H16F3N7O
• Molecular Weight: 391.36 g/mol
• Exact Mass: 391.14
• IUPAC Name: N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)NC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C17H16F3N7O/c1-10(28)24-11-3-5-26(8-11)14-2-4-21-16(25-14)12-6-23-15-7-22-13(9-27(12)15)17(18,19)20/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,24,28)
• InChIKey: CVDNRZGJMGKZER-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.36
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide (CID 139358525) is N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

What is the InChIKey of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?

The InChIKey is CVDNRZGJMGKZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O/c1-10(28)24-11-3-5-26(8-11)14-2-4-21-16(25-14)12-6-23-15-7-22-13(9-27(12)15)17(18,19)20/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,24,28).

What are the key properties of N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide?

N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide has a molecular weight of 391.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 139358525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).