8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

C24H22F6N6O4S — CID 171689911

IUPAC8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)nc1
InChIInChI=1S/C20H20N6S.2C2HF3O2/c1-2-5-21-17(3-1)14-24-8-10-25(11-9-24)19-20-23-13-18(16-4-12-27-15-16)26(20)7-6-22-19;2*3-2(4,5)1(6)7/h1-7,12-13,15H,8-11,14H2;2*(H,6,7)
InChIKeyBPAKMWNFKKEYLV-UHFFFAOYSA-N
MW604.53 g/mol
LogP4.44
Rot. Bonds4

About 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)

8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171689911) has the molecular formula C24H22F6N6O4S and a molecular weight of 604.53 g/mol. Its IUPAC name is 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
PubChem CID171689911
Molecular FormulaC24H22F6N6O4S
Molecular Weight604.53 g/mol
Exact Mass604.13
IUPAC Name8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)nc1
InChIInChI=1S/C20H20N6S.2C2HF3O2/c1-2-5-21-17(3-1)14-24-8-10-25(11-9-24)19-20-23-13-18(16-4-12-27-15-16)26(20)7-6-22-19;2*3-2(4,5)1(6)7/h1-7,12-13,15H,8-11,14H2;2*(H,6,7)
InChIKeyBPAKMWNFKKEYLV-UHFFFAOYSA-N
XLogP4.44
TPSA124.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155849597
3-(3-fluorophenyl)-8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155840422
3-(4-methoxyphenyl)-8-[4-(thiophen-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155836080
8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155826903
8-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155823488
8-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155848563
8-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155831401
8-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155833707
8-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155862026
3-(1-methylpyrazol-4-yl)-8-[4-(pyridin-3-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155844118
8-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171695563
8-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155842692

Frequently Asked Questions

What is the IUPAC name of 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) (CID 171689911) is 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2CCN(c3nccn4c(-c5ccsc5)cnc34)CC2)nc1.
What is the InChIKey of 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BPAKMWNFKKEYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6S.2C2HF3O2/c1-2-5-21-17(3-1)14-24-8-10-25(11-9-24)19-20-23-13-18(16-4-12-27-15-16)26(20)7-6-22-19;2*3-2(4,5)1(6)7/h1-7,12-13,15H,8-11,14H2;2*(H,6,7).
What are the key properties of 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)?
8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 604.53 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3-thiophen-3-ylimidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171689911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).