8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C22H25F6N7O4 — CID 155852012

About 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155852012) has the molecular formula C22H25F6N7O4 and a molecular weight of 565.48 g/mol. Its IUPAC name is 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155852012
• Molecular Formula: C22H25F6N7O4
• Molecular Weight: 565.48 g/mol
• Exact Mass: 565.19
• IUPAC Name: 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1cc(-c2cnc3c(N4CCN(CC5CC5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H23N7.2C2HF3O2/c1-22-13-15(10-21-22)16-11-20-18-17(19-4-5-25(16)18)24-8-6-23(7-9-24)12-14-2-3-14;2*3-2(4,5)1(6)7/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3;2*(H,6,7)
• InChIKey: KOMVUTKCIRWMON-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 129.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.48
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 155852012) is 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is Cn1cc(-c2cnc3c(N4CCN(CC5CC5)CC4)nccn23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KOMVUTKCIRWMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7.2C2HF3O2/c1-22-13-15(10-21-22)16-11-20-18-17(19-4-5-25(16)18)24-8-6-23(7-9-24)12-14-2-3-14;2*3-2(4,5)1(6)7/h4-5,10-11,13-14H,2-3,6-9,12H2,1H3;2*(H,6,7).

What are the key properties of 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?

8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 565.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155852012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).