2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

C27H27F6N5O5S — CID 155852445

IUPAC2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(-c2cccc3nc(C4CN(Cc5nccs5)CCN4C)cn23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N5OS.2C2HF3O2/c1-26-11-12-27(16-23-24-10-13-30-23)15-21(26)19-14-28-20(4-3-5-22(28)25-19)17-6-8-18(29-2)9-7-17;2*3-2(4,5)1(6)7/h3-10,13-14,21H,11-12,15-16H2,1-2H3;2*(H,6,7)
InChIKeyBGDIVXBOUFFXOD-UHFFFAOYSA-N
MW647.60 g/mol
LogP5.22
Rot. Bonds5

About 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155852445) has the molecular formula C27H27F6N5O5S and a molecular weight of 647.60 g/mol. Its IUPAC name is 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
PubChem CID155852445
Molecular FormulaC27H27F6N5O5S
Molecular Weight647.60 g/mol
Exact Mass647.16
IUPAC Name2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
SMILESCOc1ccc(-c2cccc3nc(C4CN(Cc5nccs5)CCN4C)cn23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H25N5OS.2C2HF3O2/c1-26-11-12-27(16-23-24-10-13-30-23)15-21(26)19-14-28-20(4-3-5-22(28)25-19)17-6-8-18(29-2)9-7-17;2*3-2(4,5)1(6)7/h3-10,13-14,21H,11-12,15-16H2,1-2H3;2*(H,6,7)
InChIKeyBGDIVXBOUFFXOD-UHFFFAOYSA-N
XLogP5.22
TPSA120.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.60
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155831221
2-[1-methyl-4-[(3-methylphenyl)methyl]piperazin-2-yl]-5-pyridin-4-ylimidazo[1,2-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155831070
furan-3-yl-[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155843677
2-[[4-(cyclopropylmethyl)-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171695631
2-[[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 171692594
2-[[3-(4-methoxyphenyl)-7-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155825136
2-[[4-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831637
1-[2-(4-methoxyphenyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 110109735
2-[[9-[(3-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155849197
3-[4-[(4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155844682
6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171692989
2-[[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155829124

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155852445) is 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is COc1ccc(-c2cccc3nc(C4CN(Cc5nccs5)CCN4C)cn23)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is BGDIVXBOUFFXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS.2C2HF3O2/c1-26-11-12-27(16-23-24-10-13-30-23)15-21(26)19-14-28-20(4-3-5-22(28)25-19)17-6-8-18(29-2)9-7-17;2*3-2(4,5)1(6)7/h3-10,13-14,21H,11-12,15-16H2,1-2H3;2*(H,6,7).
What are the key properties of 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?
2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 647.60 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155852445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).