N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

C19H23F3N4O3S — CID 155863880

About N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155863880) has the molecular formula C19H23F3N4O3S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155863880
• Molecular Formula: C19H23F3N4O3S
• Molecular Weight: 444.48 g/mol
• Exact Mass: 444.14
• IUPAC Name: N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccsc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H22N4OS.C2HF3O2/c1-12-16-19-15(17(22)18-8-13-2-3-13)10-21(16)6-5-20(12)9-14-4-7-23-11-14;3-2(4,5)1(6)7/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,18,22);(H,6,7)
• InChIKey: UFXBGQGNIWCAMH-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.48
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155863880) is N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is CC1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccsc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is UFXBGQGNIWCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS.C2HF3O2/c1-12-16-19-15(17(22)18-8-13-2-3-13)10-21(16)6-5-20(12)9-14-4-7-23-11-14;3-2(4,5)1(6)7/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,18,22);(H,6,7).

What are the key properties of N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid?

N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 444.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).