7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

C20H32F3N5O3 — CID 118743301

IUPAC7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)NCC(C)C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H31N5O.C2HF3O2/c1-5-22-10-11-23-15(4)13-19-16(23)18(22)6-8-21(9-7-18)17(24)20-12-14(2)3;3-2(4,5)1(6)7/h13-14H,5-12H2,1-4H3,(H,20,24);(H,6,7)
InChIKeyMFSNZDSFNMDTIN-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.82
Rot. Bonds3

About 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743301) has the molecular formula C20H32F3N5O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743301
Molecular FormulaC20H32F3N5O3
Molecular Weight447.50 g/mol
Exact Mass447.25
IUPAC Name7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCN1CCn2c(C)cnc2C12CCN(C(=O)NCC(C)C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H31N5O.C2HF3O2/c1-5-22-10-11-23-15(4)13-19-16(23)18(22)6-8-21(9-7-18)17(24)20-12-14(2)3;3-2(4,5)1(6)7/h13-14H,5-12H2,1-4H3,(H,20,24);(H,6,7)
InChIKeyMFSNZDSFNMDTIN-UHFFFAOYSA-N
XLogP2.82
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (CID 118743301) is 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is CCN1CCn2c(C)cnc2C12CCN(C(=O)NCC(C)C)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MFSNZDSFNMDTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O.C2HF3O2/c1-5-22-10-11-23-15(4)13-19-16(23)18(22)6-8-21(9-7-18)17(24)20-12-14(2)3;3-2(4,5)1(6)7/h13-14H,5-12H2,1-4H3,(H,20,24);(H,6,7).
What are the key properties of 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 447.50 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).