methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

C33H32F2N4O4S2 — CID 142728558

IUPACmethyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)c(C(=O)OC)s2)c(F)c1C
InChIInChI=1S/C33H32F2N4O4S2/c1-5-26-30(39-18-22(8-13-27(39)36-26)20-14-16-38(17-15-20)45(4,41)42)24-11-12-25(28(35)19(24)2)32-37-29(31(44-32)33(40)43-3)21-6-9-23(34)10-7-21/h6-13,18,20H,5,14-17H2,1-4H3
InChIKeyLASHCFRSNODVJN-UHFFFAOYSA-N
MW650.77 g/mol
LogP6.87
Rot. Bonds7

About methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate

methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 142728558) has the molecular formula C33H32F2N4O4S2 and a molecular weight of 650.77 g/mol. Its IUPAC name is methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID142728558
Molecular FormulaC33H32F2N4O4S2
Molecular Weight650.77 g/mol
Exact Mass650.18
IUPAC Namemethyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)c(C(=O)OC)s2)c(F)c1C
InChIInChI=1S/C33H32F2N4O4S2/c1-5-26-30(39-18-22(8-13-27(39)36-26)20-14-16-38(17-15-20)45(4,41)42)24-11-12-25(28(35)19(24)2)32-37-29(31(44-32)33(40)43-3)21-6-9-23(34)10-7-21/h6-13,18,20H,5,14-17H2,1-4H3
InChIKeyLASHCFRSNODVJN-UHFFFAOYSA-N
XLogP6.87
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.77
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 158034834
4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide
CID 142728675
2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 90421105
2-[2-[4-[2-ethyl-6-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-1,3-thiazol-4-yl]-5-fluorobenzonitrile
CID 142728537
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N-methylacetamide
CID 130283266
acetic acid;ethyl 2-(6-cyclohexyl-2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxylate
CID 162336472
1-[3-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 142728621
1-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]propane-1,2-dione
CID 142728553
2-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetic acid
CID 142728624
1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one
CID 130283570
2-[3-[1-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]azetidin-3-yl]-2-fluorophenyl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 142728585
ethane;2-[[2-ethyl-6-(1-methylsulfinylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 144700833

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate (CID 142728558) is methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)c(C(=O)OC)s2)c(F)c1C.
What is the InChIKey of methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is LASHCFRSNODVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F2N4O4S2/c1-5-26-30(39-18-22(8-13-27(39)36-26)20-14-16-38(17-15-20)45(4,41)42)24-11-12-25(28(35)19(24)2)32-37-29(31(44-32)33(40)43-3)21-6-9-23(34)10-7-21/h6-13,18,20H,5,14-17H2,1-4H3.
What are the key properties of methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate?
methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 650.77 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-fluoro-3-methylphenyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 142728558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).