N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

C22H28F6N6O5 — CID 118746213

About N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746213) has the molecular formula C22H28F6N6O5 and a molecular weight of 570.49 g/mol. Its IUPAC name is N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 118746213
• Molecular Formula: C22H28F6N6O5
• Molecular Weight: 570.49 g/mol
• Exact Mass: 570.20
• IUPAC Name: N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCCC2)CC3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H26N6O.2C2HF3O2/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-7-6-23(13-17(24)21-16)10-14-4-2-3-5-14;2*3-2(4,5)1(6)7/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25);2*(H,6,7)
• InChIKey: NHBXBGJYCORQIT-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 142.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.49
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 118746213) is N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is Cn1cc(C(=O)NCc2cn3c(n2)CN(CC2CCCC2)CC3)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is NHBXBGJYCORQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O.2C2HF3O2/c1-22-11-15(8-20-22)18(25)19-9-16-12-24-7-6-23(13-17(24)21-16)10-14-4-2-3-5-14;2*3-2(4,5)1(6)7/h8,11-12,14H,2-7,9-10,13H2,1H3,(H,19,25);2*(H,6,7).

What are the key properties of N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 570.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).