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

C36H34F2N6O2S — CID 142728537

IUPAC2-[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
SMILESCCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3C#N)cs2)c(F)c1C
InChIInChI=1S/C36H34F2N6O2S/c1-3-30-35(27-7-8-29(34(38)21(27)2)36-41-31(20-47-36)28-6-5-25(37)14-24(28)15-39)44-16-23(4-9-32(44)40-30)22-10-12-42(13-11-22)19-33(46)43-17-26(45)18-43/h4-9,14,16,20,22,26,45H,3,10-13,17-19H2,1-2H3
InChIKeyNAEFHOJFZBMXRJ-UHFFFAOYSA-N
MW652.77 g/mol
LogP6.20
Rot. Bonds7

About 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

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 (PubChem CID 142728537) has the molecular formula C36H34F2N6O2S and a molecular weight of 652.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID142728537
Molecular FormulaC36H34F2N6O2S
Molecular Weight652.77 g/mol
Exact Mass652.24
IUPAC Name2-[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
SMILESCCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3C#N)cs2)c(F)c1C
InChIInChI=1S/C36H34F2N6O2S/c1-3-30-35(27-7-8-29(34(38)21(27)2)36-41-31(20-47-36)28-6-5-25(37)14-24(28)15-39)44-16-23(4-9-32(44)40-30)22-10-12-42(13-11-22)19-33(46)43-17-26(45)18-43/h4-9,14,16,20,22,26,45H,3,10-13,17-19H2,1-2H3
InChIKeyNAEFHOJFZBMXRJ-UHFFFAOYSA-N
XLogP6.20
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.77
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[2-ethyl-6-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-methylamino]-1,3-thiazol-4-yl]-5-fluorobenzonitrile
CID 90420529
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-[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
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-[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]-4-hydroxybutan-1-one
CID 142728508
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
1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetyl]pyrrolidine-3-carbonitrile
CID 90420590
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
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-1-[(3R)-3-methylpyrrolidin-1-yl]ethanone
CID 90446856
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]acetic acid
CID 130274172
2-[5-[(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-1,2,4-thiadiazol-3-yl]-5-fluorobenzonitrile
CID 90446727

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2ccc(C3CCN(CC(=O)N4CC(O)C4)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3C#N)cs2)c(F)c1C.
What is the InChIKey of 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?
The InChIKey is NAEFHOJFZBMXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F2N6O2S/c1-3-30-35(27-7-8-29(34(38)21(27)2)36-41-31(20-47-36)28-6-5-25(37)14-24(28)15-39)44-16-23(4-9-32(44)40-30)22-10-12-42(13-11-22)19-33(46)43-17-26(45)18-43/h4-9,14,16,20,22,26,45H,3,10-13,17-19H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 652.77 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142728537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).