4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)

C28H27F9N6O6S — CID 155832865

IUPAC4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
SMILESCc1ncsc1CN1CCN(C)C(c2cn3c(-c4ccncc4)cccc3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N6S.3C2HF3O2/c1-16-21(29-15-24-16)14-27-11-10-26(2)20(13-27)18-12-28-19(4-3-5-22(28)25-18)17-6-8-23-9-7-17;3*3-2(4,5)1(6)7/h3-9,12,15,20H,10-11,13-14H2,1-2H3;3*(H,6,7)
InChIKeyONQVVNDSQRMKBZ-UHFFFAOYSA-N
MW746.61 g/mol
LogP5.55
Rot. Bonds4

About 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)

4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155832865) has the molecular formula C28H27F9N6O6S and a molecular weight of 746.61 g/mol. Its IUPAC name is 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
PubChem CID155832865
Molecular FormulaC28H27F9N6O6S
Molecular Weight746.61 g/mol
Exact Mass746.16
IUPAC Name4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
SMILESCc1ncsc1CN1CCN(C)C(c2cn3c(-c4ccncc4)cccc3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N6S.3C2HF3O2/c1-16-21(29-15-24-16)14-27-11-10-26(2)20(13-27)18-12-28-19(4-3-5-22(28)25-18)17-6-8-23-9-7-17;3*3-2(4,5)1(6)7/h3-9,12,15,20H,10-11,13-14H2,1-2H3;3*(H,6,7)
InChIKeyONQVVNDSQRMKBZ-UHFFFAOYSA-N
XLogP5.55
TPSA161.46 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.61
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
US9670204, 80 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78426289
US9670204, 100 4-(2,4-difluorophenyl)-N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methylthiazol-2-amine
CID 78426572
US9670204, 180 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)ethanol
CID 78427261
US9670204, 83 4-(3,4-difluorophenyl)-N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methylthiazol-2-amine
CID 78428038
US9670204, 84 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-4-(4-(trifluoromethyl)phenyl)thiazol-2-amine
CID 90420330
US9670204, 36 ethyl2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)acetate
CID 90420332
US9670204, 109 ethyl2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)acetate
CID 90420388
US9670204, 114 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)-N,N-dimethylacetamide
CID 90420647
US9670204, 125 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)acetamide
CID 90420931
US9670204, 32 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-1-morpholinoethanone
CID 90421066
US9670204, 42 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)aceticacid
CID 90421072

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) (CID 155832865) is 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) is Cc1ncsc1CN1CCN(C)C(c2cn3c(-c4ccncc4)cccc3n2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is ONQVVNDSQRMKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6S.3C2HF3O2/c1-16-21(29-15-24-16)14-27-11-10-26(2)20(13-27)18-12-28-19(4-3-5-22(28)25-18)17-6-8-23-9-7-17;3*3-2(4,5)1(6)7/h3-9,12,15,20H,10-11,13-14H2,1-2H3;3*(H,6,7).
What are the key properties of 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)?
4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 746.61 g/mol, XLogP of 5.55, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[4-methyl-3-(5-pyridin-4-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).