N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C25H26F3N5O2S — CID 67973656

About N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67973656) has the molecular formula C25H26F3N5O2S and a molecular weight of 517.58 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• PubChem CID: 67973656
• Molecular Formula: C25H26F3N5O2S
• Molecular Weight: 517.58 g/mol
• Exact Mass: 517.18
• IUPAC Name: N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
• SMILES: Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CCS(=O)CC4)cn23)ccc1C(=O)NC1CC1
• InChI: InChI=1S/C25H26F3N5O2S/c1-15-12-17(2-5-19(15)24(34)31-18-3-4-18)21-13-30-23-22(29-9-8-25(26,27)28)32-20(14-33(21)23)16-6-10-36(35)11-7-16/h2,5-6,12-14,18H,3-4,7-11H2,1H3,(H,29,32)(H,31,34)
• InChIKey: GXJVHBAQQSXHIZ-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.58
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The IUPAC name of N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67973656) is N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The canonical SMILES for N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(C4=CCS(=O)CC4)cn23)ccc1C(=O)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

The InChIKey is GXJVHBAQQSXHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2S/c1-15-12-17(2-5-19(15)24(34)31-18-3-4-18)21-13-30-23-22(29-9-8-25(26,27)28)32-20(14-33(21)23)16-6-10-36(35)11-7-16/h2,5-6,12-14,18H,3-4,7-11H2,1H3,(H,29,32)(H,31,34).

What are the key properties of N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?

N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 517.58 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-methyl-4-[6-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67973656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).