6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C24H25F5N6O4 — CID 154998216

About 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998216) has the molecular formula C24H25F5N6O4 and a molecular weight of 556.49 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 154998216
• Molecular Formula: C24H25F5N6O4
• Molecular Weight: 556.49 g/mol
• Exact Mass: 556.19
• IUPAC Name: 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(Nc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H24F2N6O2.C2HF3O2/c23-19(24)15-4-3-5-16(25-15)22(31)28-18-13-30-12-17(14-6-10-32-11-7-14)26-20(30)21(27-18)29-8-1-2-9-29;3-2(4,5)1(6)7/h3-5,12-14,19H,1-2,6-11H2,(H,28,31);(H,6,7)
• InChIKey: VMNJYAAADNLWTN-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 121.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.49
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998216) is 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1.O=C(O)C(F)(F)F.

What is the InChIKey of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is VMNJYAAADNLWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2.C2HF3O2/c23-19(24)15-4-3-5-16(25-15)22(31)28-18-13-30-12-17(14-6-10-32-11-7-14)26-20(30)21(27-18)29-8-1-2-9-29;3-2(4,5)1(6)7/h3-5,12-14,19H,1-2,6-11H2,(H,28,31);(H,6,7).

What are the key properties of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 556.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).