(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C25H24F6N4O5S — CID 155849750

IUPAC(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1cccs1)N1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12
InChIInChI=1S/C21H22N4OS.2C2HF3O2/c26-19(18-7-4-14-27-18)24-11-8-21(9-12-24)20-22-15-17(25(20)13-10-23-21)16-5-2-1-3-6-16;2*3-2(4,5)1(6)7/h1-7,14-15,23H,8-13H2;2*(H,6,7)
InChIKeyYUBDFEBQBXCUQH-UHFFFAOYSA-N
MW606.55 g/mol
LogP4.61
Rot. Bonds2

About (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)

(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155849750) has the molecular formula C25H24F6N4O5S and a molecular weight of 606.55 g/mol. Its IUPAC name is (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155849750
Molecular FormulaC25H24F6N4O5S
Molecular Weight606.55 g/mol
Exact Mass606.14
IUPAC Name(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1cccs1)N1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12
InChIInChI=1S/C21H22N4OS.2C2HF3O2/c26-19(18-7-4-14-27-18)24-11-8-21(9-12-24)20-22-15-17(25(20)13-10-23-21)16-5-2-1-3-6-16;2*3-2(4,5)1(6)7/h1-7,14-15,23H,8-13H2;2*(H,6,7)
InChIKeyYUBDFEBQBXCUQH-UHFFFAOYSA-N
XLogP4.61
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.55
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone
CID 97361072
1'-cyclopropylsulfonyl-3-(4-fluorophenyl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine];2,2,2-trifluoroacetic acid
CID 155856386
5-methyl-3-[(3-pyridin-3-ylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155856589
[3-(2-methylpyrazol-3-yl)spiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
CID 97410444
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-2-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155837576
2-(pyridin-2-ylmethyl)-8-(thiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155823920
2-pyridin-3-yl-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155833316
7-methylsulfonyl-3-phenyl-1'-(thiophen-2-ylmethyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 155837981
(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-pyridin-3-ylmethanone;tris(2,2,2-trifluoroacetic acid)
CID 155833109
1-(7-ethyl-3-phenylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one;2,2,2-trifluoroacetic acid
CID 155857877
(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-thiophen-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847903
3,5-dimethyl-4-[(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)methyl]-1,2-oxazole
CID 97410441

Frequently Asked Questions

What is the IUPAC name of (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 155849750) is (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(c1cccs1)N1CCC2(CC1)NCCn1c(-c3ccccc3)cnc12.
What is the InChIKey of (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is YUBDFEBQBXCUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS.2C2HF3O2/c26-19(18-7-4-14-27-18)24-11-8-21(9-12-24)20-22-15-17(25(20)13-10-23-21)16-5-2-1-3-6-16;2*3-2(4,5)1(6)7/h1-7,14-15,23H,8-13H2;2*(H,6,7).
What are the key properties of (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
(3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 606.55 g/mol, XLogP of 4.61, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylspiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-thiophen-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155849750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).