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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C36H37F2N5OS — CID 142728505

IUPAC2-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1nc2ccc(C3CCN(CC(=O)N4CCCC4)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F
InChIInChI=1S/C36H37F2N5OS/c1-3-30-35(29-12-11-28(23(2)34(29)38)36-40-31(22-45-36)25-6-9-27(37)10-7-25)43-20-26(8-13-32(43)39-30)24-14-18-41(19-15-24)21-33(44)42-16-4-5-17-42/h6-13,20,22,24H,3-5,14-19,21H2,1-2H3
InChIKeyNHNKXFXDQAVIBJ-UHFFFAOYSA-N
MW625.79 g/mol
LogP7.74
Rot. Bonds7

About 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 142728505) has the molecular formula C36H37F2N5OS and a molecular weight of 625.79 g/mol. Its IUPAC name is 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID142728505
Molecular FormulaC36H37F2N5OS
Molecular Weight625.79 g/mol
Exact Mass625.27
IUPAC Name2-[4-[2-ethyl-3-[2-fluoro-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methylphenyl]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1nc2ccc(C3CCN(CC(=O)N4CCCC4)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F
InChIInChI=1S/C36H37F2N5OS/c1-3-30-35(29-12-11-28(23(2)34(29)38)36-40-31(22-45-36)25-6-9-27(37)10-7-25)43-20-26(8-13-32(43)39-30)24-14-18-41(19-15-24)21-33(44)42-16-4-5-17-42/h6-13,20,22,24H,3-5,14-19,21H2,1-2H3
InChIKeyNHNKXFXDQAVIBJ-UHFFFAOYSA-N
XLogP7.74
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.79
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[4-(4-Fluoro-3-methylphenyl)-2-(4-fluorophenyl)imidazol-1-yl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 71656844
US9670204, 98 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-4-(4-fluoro-2-methylphenyl)-N-methylthiazol-2-amine
CID 78426571
US9670204, 100 4-(2,4-difluorophenyl)-N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methylthiazol-2-amine
CID 78426572
US9670204, 110 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)-(3-hydroxyazetidin-1-yl)ethanone
CID 78426574
2-[4-[2-Ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-7-methylimidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-1-(3-hydroxyazetidin-1-yl)ethanone
CID 78427773
US9670204, 41 N-(6-(4-((1,2,4-oxadiazol-3-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78428035
US9670204, 83 4-(3,4-difluorophenyl)-N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methylthiazol-2-amine
CID 78428038
US9670204, 84 N-(2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-4-(4-(trifluoromethyl)phenyl)thiazol-2-amine
CID 90420330
US9670204, 109 ethyl2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)acetate
CID 90420388
US9670204, 194 N-cyclopropyl-2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)acetamide
CID 90420528
US9670204, 114 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)-N,N-dimethylacetamide
CID 90420647
US9670204, 24 2-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperazin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 90420765

Frequently Asked Questions

What is the IUPAC name of 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 142728505) is 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is CCc1nc2ccc(C3CCN(CC(=O)N4CCCC4)CC3)cn2c1-c1ccc(-c2nc(-c3ccc(F)cc3)cs2)c(C)c1F.
What is the InChIKey of 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NHNKXFXDQAVIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F2N5OS/c1-3-30-35(29-12-11-28(23(2)34(29)38)36-40-31(22-45-36)25-6-9-27(37)10-7-25)43-20-26(8-13-32(43)39-30)24-14-18-41(19-15-24)21-33(44)42-16-4-5-17-42/h6-13,20,22,24H,3-5,14-19,21H2,1-2H3.
What are the key properties of 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 625.79 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 142728505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).