N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

C52H55F5N10O5S4 — CID 158718347

IUPACN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)C(F)(F)F)s1.CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H27F4N5O3S2.C25H28FN5O2S2/c1-4-20-25(36-15-18(7-10-21(36)32-20)16-11-13-35(14-12-16)41(3,38)39)34(2)26-33-22(17-5-8-19(28)9-6-17)23(40-26)24(37)27(29,30)31;1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-10,15-16H,4,11-14H2,1-3H3;5-10,15-17H,4,11-14H2,1-3H3
InChIKeyIJPHNBQMJWBMKM-UHFFFAOYSA-N
MW1123.33 g/mol
LogP10.88
Rot. Bonds13

About N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone

N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (PubChem CID 158718347) has the molecular formula C52H55F5N10O5S4 and a molecular weight of 1123.33 g/mol. Its IUPAC name is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
PubChem CID158718347
Molecular FormulaC52H55F5N10O5S4
Molecular Weight1123.33 g/mol
Exact Mass1122.32
IUPAC NameN-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)C(F)(F)F)s1.CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H27F4N5O3S2.C25H28FN5O2S2/c1-4-20-25(36-15-18(7-10-21(36)32-20)16-11-13-35(14-12-16)41(3,38)39)34(2)26-33-22(17-5-8-19(28)9-6-17)23(40-26)24(37)27(29,30)31;1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-10,15-16H,4,11-14H2,1-3H3;5-10,15-17H,4,11-14H2,1-3H3
InChIKeyIJPHNBQMJWBMKM-UHFFFAOYSA-N
XLogP10.88
TPSA158.69 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001123.33
LogP ≤ 510.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

US9670204, 137 2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazole-5-carboxamide
CID 90420804
US9670204, 160 1-(2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-fluorophenyl)thiazol-5-yl)-2,2,2-trifluoroethanone
CID 78427127
US9670204, 158 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)-5-(2,2,2-trifluoroacetoyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-N,N-dimethylacetamide
CID 90420626
2-[3-[4-[2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfinylpropyl]isoindole-1,3-dione
CID 90446045
1-[2-[[2-Ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanone
CID 90446706
2-[3-[4-[2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 90446860
2-[3-[4-[2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione
CID 117628508
2-[3-[[4-[2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-dihydroxy-lambda4-sulfanyl]propyl]isoindole-1,3-dione
CID 123234386
1-[2-[[2-Ethyl-6-(1-methylsulfinylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone
CID 130283083
2-[[2-Ethyl-6-(1-methylsulfinylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 130283400
1-[2-[[2-Ethyl-6-(1-methylsulfinylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanone
CID 130283446
2-[[2-Ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 132230059

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The IUPAC name of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone (CID 158718347) is N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)C(F)(F)F)s1.CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
The InChIKey is IJPHNBQMJWBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N5O3S2.C25H28FN5O2S2/c1-4-20-25(36-15-18(7-10-21(36)32-20)16-11-13-35(14-12-16)41(3,38)39)34(2)26-33-22(17-5-8-19(28)9-6-17)23(40-26)24(37)27(29,30)31;1-4-21-24(29(2)25-28-22(16-34-25)18-5-8-20(26)9-6-18)31-15-19(7-10-23(31)27-21)17-11-13-30(14-12-17)35(3,32)33/h5-10,15-16H,4,11-14H2,1-3H3;5-10,15-17H,4,11-14H2,1-3H3.
What are the key properties of N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone?
N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone has a molecular weight of 1123.33 g/mol, XLogP of 10.88, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;1-[2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 158718347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).