N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C25H34F6N8O5 — CID 155839116

About N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155839116) has the molecular formula C25H34F6N8O5 and a molecular weight of 640.59 g/mol. Its IUPAC name is N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155839116
• Molecular Formula: C25H34F6N8O5
• Molecular Weight: 640.59 g/mol
• Exact Mass: 640.26
• IUPAC Name: N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN1Cc2nnc(C(=O)NC3CCCCC3)n2CC12CCN(Cc1cnn(C)c1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H32N8O.2C2HF3O2/c1-26-13-18-24-25-19(20(30)23-17-6-4-3-5-7-17)29(18)15-21(26)8-9-28(14-21)12-16-10-22-27(2)11-16;2*3-2(4,5)1(6)7/h10-11,17H,3-9,12-15H2,1-2H3,(H,23,30);2*(H,6,7)
• InChIKey: SVMPIJXJNOVCIC-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 158.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.59
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 155839116) is N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is CN1Cc2nnc(C(=O)NC3CCCCC3)n2CC12CCN(Cc1cnn(C)c1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is SVMPIJXJNOVCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N8O.2C2HF3O2/c1-26-13-18-24-25-19(20(30)23-17-6-4-3-5-7-17)29(18)15-21(26)8-9-28(14-21)12-16-10-22-27(2)11-16;2*3-2(4,5)1(6)7/h10-11,17H,3-9,12-15H2,1-2H3,(H,23,30);2*(H,6,7).

What are the key properties of N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?

N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 640.59 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-7-methyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155839116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).