4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

C98H115F4N21O8S — CID 163974292

IUPAC4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCC(=O)CCc1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.COCc1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CCS(C)(=O)=O)nn1C.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C
InChIInChI=1S/C26H30FN5O2.C25H30FN5O3S.C24H28FN5O2.C23H27FN6O/c1-17(33)4-8-24-22(18(2)31(3)30-24)11-13-34-25-14-20(27)6-7-23(25)19-5-9-26-29-15-21(10-12-28)32(26)16-19;1-17-21(23(29-30(17)2)10-13-35(3,32)33)9-12-34-24-14-19(26)5-6-22(24)18-4-7-25-28-15-20(8-11-27)31(25)16-18;1-16-20(22(15-31-3)28-29(16)2)9-11-32-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17;1-15-19(21(12-26)28-29(15)2)8-10-31-22-11-17(24)4-5-20(22)16-3-6-23-27-13-18(7-9-25)30(23)14-16/h5-7,9,14-16H,4,8,10-13,28H2,1-3H3;4-7,14-16H,8-13,27H2,1-3H3;4-7,12-14H,8-11,15,26H2,1-3H3;3-6,11,13-14H,7-10,12,25-26H2,1-2H3
InChIKeySSSJOTWXBFIUNQ-UHFFFAOYSA-N
MW1823.20 g/mol
LogP12.93
Rot. Bonds37

About 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine

4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (PubChem CID 163974292) has the molecular formula C98H115F4N21O8S and a molecular weight of 1823.20 g/mol. Its IUPAC name is 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
PubChem CID163974292
Molecular FormulaC98H115F4N21O8S
Molecular Weight1823.20 g/mol
Exact Mass1821.89
IUPAC Name4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
SMILESCC(=O)CCc1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.COCc1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CCS(C)(=O)=O)nn1C.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C
InChIInChI=1S/C26H30FN5O2.C25H30FN5O3S.C24H28FN5O2.C23H27FN6O/c1-17(33)4-8-24-22(18(2)31(3)30-24)11-13-34-25-14-20(27)6-7-23(25)19-5-9-26-29-15-21(10-12-28)32(26)16-19;1-17-21(23(29-30(17)2)10-13-35(3,32)33)9-12-34-24-14-19(26)5-6-22(24)18-4-7-25-28-15-20(8-11-27)31(25)16-18;1-16-20(22(15-31-3)28-29(16)2)9-11-32-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17;1-15-19(21(12-26)28-29(15)2)8-10-31-22-11-17(24)4-5-20(22)16-3-6-23-27-13-18(7-9-25)30(23)14-16/h5-7,9,14-16H,4,8,10-13,28H2,1-3H3;4-7,14-16H,8-13,27H2,1-3H3;4-7,12-14H,8-11,15,26H2,1-3H3;3-6,11,13-14H,7-10,12,25-26H2,1-2H3
InChIKeySSSJOTWXBFIUNQ-UHFFFAOYSA-N
XLogP12.93
TPSA367.94 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.20
LogP ≤ 512.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Analyze 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine with MolForge

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Related Compounds

2-[4-[2-[6-[3-[4-(1,1-difluoroethoxy)phenyl]morpholin-4-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetic acid;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-(4-methylcyclohexyl)ethyl]pyrimidine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(methylsulfonylmethyl)phenyl]ethyl]pyrimidine;5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-6-[5-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyrimidin-4-amine
CID 158671578
[4-[2-[4-[[2-amino-3-[2-[(5S)-5-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-2-fluoroheptan-4-yl]oxyethyl]-4-methyliminopent-2-enyl]sulfonylmethyl]-2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 173868067
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[4-(2-methylsulfonylethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;2-[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,5-dimethylpyrazol-1-yl]ethanol;4-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]morpholine;1-[5-[5-[2-(3-methoxy-5-methylphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]-N,N-dimethylmethanamine
CID 157098284
4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylic acid;[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 157202183
8-[4-[(dimethylamino)methyl]phenyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylpyrimidin-5-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 157359629
azetidin-1-yl-[4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexyl]methanone;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-5-(3-methylsulfonylcyclopentyl)oxyimidazo[1,2-a]pyridine;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carboxamide;4-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-N-methylcyclohexane-1-carboxamide;1-[3-[2-(2-methoxypyrimidin-5-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]-1,4-thiazinane 1,1-dioxide;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]-1,4-thiazinane 1-oxide
CID 157384151
[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-3-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 157413444
8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(4-methylimidazol-1-yl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine
CID 157430428
[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methanol;N-[[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]methyl]acetamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenoxy]ethyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 157493980
8-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
CID 157549819
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(2-methyl-3-pyridinyl)imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(oxetan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-[1-(oxolan-3-yl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
CID 157896647
N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 157909906

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The IUPAC name of 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine (CID 163974292) is 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine.
What is the SMILES notation for 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The canonical SMILES for 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is CC(=O)CCc1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.COCc1nn(C)c(C)c1CCOc1cc(F)ccc1-c1ccc2ncc(CCN)n2c1.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CCS(C)(=O)=O)nn1C.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CN)nn1C.
What is the InChIKey of 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
The InChIKey is SSSJOTWXBFIUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2.C25H30FN5O3S.C24H28FN5O2.C23H27FN6O/c1-17(33)4-8-24-22(18(2)31(3)30-24)11-13-34-25-14-20(27)6-7-23(25)19-5-9-26-29-15-21(10-12-28)32(26)16-19;1-17-21(23(29-30(17)2)10-13-35(3,32)33)9-12-34-24-14-19(26)5-6-22(24)18-4-7-25-28-15-20(8-11-27)31(25)16-18;1-16-20(22(15-31-3)28-29(16)2)9-11-32-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17;1-15-19(21(12-26)28-29(15)2)8-10-31-22-11-17(24)4-5-20(22)16-3-6-23-27-13-18(7-9-25)30(23)14-16/h5-7,9,14-16H,4,8,10-13,28H2,1-3H3;4-7,14-16H,8-13,27H2,1-3H3;4-7,12-14H,8-11,15,26H2,1-3H3;3-6,11,13-14H,7-10,12,25-26H2,1-2H3.
What are the key properties of 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine?
4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine has a molecular weight of 1823.20 g/mol, XLogP of 12.93, 37 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]butan-2-one;2-[6-[2-[2-[3-(aminomethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[2-[2-[1,5-dimethyl-3-(2-methylsulfonylethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;2-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine is sourced from PubChem (CID 163974292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).