3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)

C88H75BrF15N15O6 — CID 167556578

IUPAC3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)
SMILESBrc1cnc2cnccn12.Cc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)O)cc1.Cc1cnc(CC(=O)c2ccc(Nc3cnc4cnccn34)cc2)cc1C(F)(F)F
InChIInChI=1S/C21H16F3N5O.3C15H13F3N2O.C8H8F3N.C8H8O2.C6H4BrN3/c1-13-10-26-16(8-17(13)21(22,23)24)9-18(30)14-2-4-15(5-3-14)28-20-12-27-19-11-25-6-7-29(19)20;3*1-9-3-5-11(6-4-9)14(21)20-13-7-12(15(16,17)18)10(2)8-19-13;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-2-4-7(5-3-6)8(9)10;7-5-3-9-6-4-8-1-2-10(5)6/h2-8,10-12,28H,9H2,1H3;3*3-8H,1-2H3,(H,19,20,21);3-4H,1-2H3;2-5H,1H3,(H,9,10);1-4H
InChIKeyDBYYWTRMKNVCMU-UHFFFAOYSA-N
MW1803.54 g/mol
LogP22.43
Rot. Bonds12

About 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)

3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide) (PubChem CID 167556578) has the molecular formula C88H75BrF15N15O6 and a molecular weight of 1803.54 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide).

Molecular Properties

Compound Name3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)
PubChem CID167556578
Molecular FormulaC88H75BrF15N15O6
Molecular Weight1803.54 g/mol
Exact Mass1801.50
IUPAC Name3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)
SMILESBrc1cnc2cnccn12.Cc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)O)cc1.Cc1cnc(CC(=O)c2ccc(Nc3cnc4cnccn34)cc2)cc1C(F)(F)F
InChIInChI=1S/C21H16F3N5O.3C15H13F3N2O.C8H8F3N.C8H8O2.C6H4BrN3/c1-13-10-26-16(8-17(13)21(22,23)24)9-18(30)14-2-4-15(5-3-14)28-20-12-27-19-11-25-6-7-29(19)20;3*1-9-3-5-11(6-4-9)14(21)20-13-7-12(15(16,17)18)10(2)8-19-13;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-2-4-7(5-3-6)8(9)10;7-5-3-9-6-4-8-1-2-10(5)6/h2-8,10-12,28H,9H2,1H3;3*3-8H,1-2H3,(H,19,20,21);3-4H,1-2H3;2-5H,1H3,(H,9,10);1-4H
InChIKeyDBYYWTRMKNVCMU-UHFFFAOYSA-N
XLogP22.43
TPSA278.53 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001803.54
LogP ≤ 522.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide) with MolForge

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Related Compounds

4-((5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)-3-fluorobenzoic acid
CID 176268025
4-((5-(2-(2-aminopyridin-3-yl)-5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)benzoic acid
CID 176268176
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821459
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,5-difluorobenzoic acid
CID 177821462
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,6-difluorobenzoic acid
CID 177821464
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-6-methyl-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821467
3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzoic acid
CID 157248440
4-[6-Ethenyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;1-[4-[6-ethyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]-2-(1-methylcyclopropyl)ethanone
CID 157303954
4-[3-(4-carboxy-3-methylphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;N-cyclopropyl-4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzamide
CID 157391324
4-[6-ethyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid;1-[4-[6-ethyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]-2-[(1R,2S)-2-methylcyclopropyl]ethanone
CID 157415879
4-[3-[4-(Cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoic acid;methyl 4-[3-[4-(cyclopropylcarbamoyl)-3-methylphenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]-2-methylbenzoate
CID 157443351
2-Cyclopropyl-1-[4-[6-ethenyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylphenyl]ethanone;4-[6-ethenyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 157451130

Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)?
The IUPAC name of 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide) (CID 167556578) is 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide).
What is the SMILES notation for 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)?
The canonical SMILES for 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide) is Brc1cnc2cnccn12.Cc1cc(C(F)(F)F)c(C)cn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)c(C)cn2)cc1.Cc1ccc(C(=O)O)cc1.Cc1cnc(CC(=O)c2ccc(Nc3cnc4cnccn34)cc2)cc1C(F)(F)F.
What is the InChIKey of 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)?
The InChIKey is DBYYWTRMKNVCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O.3C15H13F3N2O.C8H8F3N.C8H8O2.C6H4BrN3/c1-13-10-26-16(8-17(13)21(22,23)24)9-18(30)14-2-4-15(5-3-14)28-20-12-27-19-11-25-6-7-29(19)20;3*1-9-3-5-11(6-4-9)14(21)20-13-7-12(15(16,17)18)10(2)8-19-13;1-5-4-12-6(2)3-7(5)8(9,10)11;1-6-2-4-7(5-3-6)8(9)10;7-5-3-9-6-4-8-1-2-10(5)6/h2-8,10-12,28H,9H2,1H3;3*3-8H,1-2H3,(H,19,20,21);3-4H,1-2H3;2-5H,1H3,(H,9,10);1-4H.
What are the key properties of 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide)?
3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide) has a molecular weight of 1803.54 g/mol, XLogP of 22.43, 12 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,2-a]pyrazine;2,5-dimethyl-4-(trifluoromethyl)pyridine;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;4-methylbenzoic acid;tris(4-methyl-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide) is sourced from PubChem (CID 167556578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).