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

C18H19F3N6O — CID 139358410

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

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 139358410) has the molecular formula C18H19F3N6O and a molecular weight of 392.39 g/mol. Its IUPAC name is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol
• PubChem CID: 139358410
• Molecular Formula: C18H19F3N6O
• Molecular Weight: 392.39 g/mol
• Exact Mass: 392.16
• IUPAC Name: 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol
• SMILES: CC(C)(O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
• InChI: InChI=1S/C18H19F3N6O/c1-17(2,28)11-4-6-26(9-11)14-3-5-22-16(25-14)12-7-24-15-8-23-13(10-27(12)15)18(19,20)21/h3,5,7-8,10-11,28H,4,6,9H2,1-2H3
• InChIKey: BAJCBIIUEOHYJQ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 79.44 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	392.39
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol (CID 139358410) is 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol.

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

The canonical SMILES for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol is CC(C)(O)C1CCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.

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

The InChIKey is BAJCBIIUEOHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O/c1-17(2,28)11-4-6-26(9-11)14-3-5-22-16(25-14)12-7-24-15-8-23-13(10-27(12)15)18(19,20)21/h3,5,7-8,10-11,28H,4,6,9H2,1-2H3.

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

2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 392.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 139358410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).