7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

C21H28F3N7O4 — CID 155833873

IUPAC7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N7O2.C2HF3O2/c1-14(27)26-10-9-25-16(15-11-21-23(4)13-15)12-20-17(25)19(26)5-7-24(8-6-19)18(28)22(2)3;3-2(4,5)1(6)7/h11-13H,5-10H2,1-4H3;(H,6,7)
InChIKeyJTFINBMBYHJOEO-UHFFFAOYSA-N
MW499.49 g/mol
LogP1.75
Rot. Bonds1

About 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155833873) has the molecular formula C21H28F3N7O4 and a molecular weight of 499.49 g/mol. Its IUPAC name is 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155833873
Molecular FormulaC21H28F3N7O4
Molecular Weight499.49 g/mol
Exact Mass499.22
IUPAC Name7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N7O2.C2HF3O2/c1-14(27)26-10-9-25-16(15-11-21-23(4)13-15)12-20-17(25)19(26)5-7-24(8-6-19)18(28)22(2)3;3-2(4,5)1(6)7/h11-13H,5-10H2,1-4H3;(H,6,7)
InChIKeyJTFINBMBYHJOEO-UHFFFAOYSA-N
XLogP1.75
TPSA116.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (CID 155833873) is 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)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-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is CC(=O)N1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JTFINBMBYHJOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2.C2HF3O2/c1-14(27)26-10-9-25-16(15-11-21-23(4)13-15)12-20-17(25)19(26)5-7-24(8-6-19)18(28)22(2)3;3-2(4,5)1(6)7/h11-13H,5-10H2,1-4H3;(H,6,7).
What are the key properties of 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?
7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 499.49 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N,N-dimethyl-3-(1-methylpyrazol-4-yl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).