1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

C91H76F9N19O3 — CID 159168452

IUPAC1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2ccnc12.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2ccnc12.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(Nc4nc(-c5cccnc5)cn5ccnc45)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C33H32F3N7O.C31H24F3N7O.C27H20F3N5O/c1-22-5-6-23(16-28(22)39-31-32-38-10-11-43(32)21-29(40-31)25-4-3-9-37-19-25)17-30(44)24-7-8-26(27(18-24)33(34,35)36)20-42-14-12-41(2)13-15-42;1-19-5-6-21(11-28(42)23-12-24(31(32,33)34)14-25(13-23)41-16-20(2)37-18-41)10-26(19)38-29-30-36-8-9-40(30)17-27(39-29)22-4-3-7-35-15-22;1-17-7-8-18(13-24(36)19-4-2-6-21(14-19)27(28,29)30)12-22(17)33-25-26-32-10-11-35(26)16-23(34-25)20-5-3-9-31-15-20/h3-11,16,18-19,21H,12-15,17,20H2,1-2H3,(H,39,40);3-10,12-18H,11H2,1-2H3,(H,38,39);2-12,14-16H,13H2,1H3,(H,33,34)
InChIKeyKLJKIHZYSRMQMP-UHFFFAOYSA-N
MW1654.72 g/mol
LogP19.10
Rot. Bonds21

About 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 159168452) has the molecular formula C91H76F9N19O3 and a molecular weight of 1654.72 g/mol. Its IUPAC name is 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID159168452
Molecular FormulaC91H76F9N19O3
Molecular Weight1654.72 g/mol
Exact Mass1653.62
IUPAC Name1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2ccnc12.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2ccnc12.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(Nc4nc(-c5cccnc5)cn5ccnc45)c3)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C33H32F3N7O.C31H24F3N7O.C27H20F3N5O/c1-22-5-6-23(16-28(22)39-31-32-38-10-11-43(32)21-29(40-31)25-4-3-9-37-19-25)17-30(44)24-7-8-26(27(18-24)33(34,35)36)20-42-14-12-41(2)13-15-42;1-19-5-6-21(11-28(42)23-12-24(31(32,33)34)14-25(13-23)41-16-20(2)37-18-41)10-26(19)38-29-30-36-8-9-40(30)17-27(39-29)22-4-3-7-35-15-22;1-17-7-8-18(13-24(36)19-4-2-6-21(14-19)27(28,29)30)12-22(17)33-25-26-32-10-11-35(26)16-23(34-25)20-5-3-9-31-15-20/h3-11,16,18-19,21H,12-15,17,20H2,1-2H3,(H,39,40);3-10,12-18H,11H2,1-2H3,(H,38,39);2-12,14-16H,13H2,1H3,(H,33,34)
InChIKeyKLJKIHZYSRMQMP-UHFFFAOYSA-N
XLogP19.10
TPSA240.84 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001654.72
LogP ≤ 519.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

4-ethyl-3-(3-imidazo[1,2-a]pyrazin-3-ylphenyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 155536370
N-(2,6-difluorophenyl)-3-[3-[2-[2-methyl-3-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452564
N-(2,6-difluorophenyl)-3-[3-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)-2-propylanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452566
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-methylphenyl]amino}-4-pyrimidinyl)-imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452662
N-(2,6-difluorophenyl)-3-[3-[2-[2-(2-methylpropyl)-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452721
N-(2,6-difluorophenyl)-3-[3-[2-[2-ethyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452965
4-methyl-N-[6-methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]pyridin-3-yl]-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 45255710
2-[6-Methyl-5-[4-(6-methylimidazo[1,2-a]pyrazin-3-yl)triazol-1-yl]-3-pyridinyl]-1-[4-methyl-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]ethanone
CID 58563272
3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 67891253
3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 67891345
3-imidazo[1,2-a]pyrazin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 67891360
3-imidazo[1,2-a]pyrazin-3-yl-4-methyl-N-[3-[4-(pyrrolidin-1-ylmethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]benzamide
CID 68082637

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (CID 159168452) is 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(CC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2ccnc12.Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)cn2ccnc12.Cc1cn(-c2cc(C(=O)Cc3ccc(C)c(Nc4nc(-c5cccnc5)cn5ccnc45)c3)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is KLJKIHZYSRMQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N7O.C31H24F3N7O.C27H20F3N5O/c1-22-5-6-23(16-28(22)39-31-32-38-10-11-43(32)21-29(40-31)25-4-3-9-37-19-25)17-30(44)24-7-8-26(27(18-24)33(34,35)36)20-42-14-12-41(2)13-15-42;1-19-5-6-21(11-28(42)23-12-24(31(32,33)34)14-25(13-23)41-16-20(2)37-18-41)10-26(19)38-29-30-36-8-9-40(30)17-27(39-29)22-4-3-7-35-15-22;1-17-7-8-18(13-24(36)19-4-2-6-21(14-19)27(28,29)30)12-22(17)33-25-26-32-10-11-35(26)16-23(34-25)20-5-3-9-31-15-20/h3-11,16,18-19,21H,12-15,17,20H2,1-2H3,(H,39,40);3-10,12-18H,11H2,1-2H3,(H,38,39);2-12,14-16H,13H2,1H3,(H,33,34).
What are the key properties of 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1654.72 g/mol, XLogP of 19.10, 21 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;1-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]ethanone;2-[4-methyl-3-[(6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159168452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).