[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

C99H115F4N21O11S2 — CID 163762527

IUPAC[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(COC)nn(C)c3C)cn12.CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(CS(C)(=O)=O)nn(C)c3C)cn12.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N2CCOCC2)nn1C.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CS(C)(=O)=O)nn1C
InChIInChI=1S/C27H31FN6O3.2C24H28FN5O3S.C24H28FN5O2/c1-18-22(26(31-32(18)2)27(35)33-10-13-36-14-11-33)8-12-37-24-15-20(28)4-5-23(24)19-3-6-25-30-16-21(7-9-29)34(25)17-19;1-16-20(22(28-29(16)3)15-34(4,31)32)9-10-33-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17;1-16-20(22(28-29(16)2)15-34(3,31)32)9-11-33-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17;1-16-20(22(15-31-4)28-29(16)3)9-10-32-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17/h3-6,15-17H,7-14,29H2,1-2H3;5-8,11,13-14,26H,9-10,12,15H2,1-4H3;4-7,12-14H,8-11,15,26H2,1-3H3;5-8,11,13-14,26H,9-10,12,15H2,1-4H3
InChIKeyLZKPGGKYWXDLNR-UHFFFAOYSA-N
MW1915.27 g/mol
LogP12.36
Rot. Bonds35

About [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine

[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (PubChem CID 163762527) has the molecular formula C99H115F4N21O11S2 and a molecular weight of 1915.27 g/mol. Its IUPAC name is [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
PubChem CID163762527
Molecular FormulaC99H115F4N21O11S2
Molecular Weight1915.27 g/mol
Exact Mass1913.85
IUPAC Name[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
SMILESCNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(COC)nn(C)c3C)cn12.CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(CS(C)(=O)=O)nn(C)c3C)cn12.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N2CCOCC2)nn1C.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CS(C)(=O)=O)nn1C
InChIInChI=1S/C27H31FN6O3.2C24H28FN5O3S.C24H28FN5O2/c1-18-22(26(31-32(18)2)27(35)33-10-13-36-14-11-33)8-12-37-24-15-20(28)4-5-23(24)19-3-6-25-30-16-21(7-9-29)34(25)17-19;1-16-20(22(28-29(16)3)15-34(4,31)32)9-10-33-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17;1-16-20(22(28-29(16)2)15-34(3,31)32)9-11-33-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17;1-16-20(22(15-31-4)28-29(16)3)9-10-32-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17/h3-6,15-17H,7-14,29H2,1-2H3;5-8,11,13-14,26H,9-10,12,15H2,1-4H3;4-7,12-14H,8-11,15,26H2,1-3H3;5-8,11,13-14,26H,9-10,12,15H2,1-4H3
InChIKeyLZKPGGKYWXDLNR-UHFFFAOYSA-N
XLogP12.36
TPSA360.55 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.27
LogP ≤ 512.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine with MolForge

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Related Compounds

N-[[4-[3-(methoxymethyl)phenyl]sulfonylphenyl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[4-[(5-methoxy-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90013240
N-[6-[difluoro-[6-[1-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[1-(2-methoxyethoxymethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[difluoro-[6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide;N-[6-[[6-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-difluoromethyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
CID 157192153
4-Fluoro-4-(2-methylpropyl)piperidine;3-fluoro-3-(2-methylpropyl)pyrrolidine;1-isocyano-2,3-dimethylbutane;2-methoxy-5-methylhexane;1-methoxy-2-(2-methylpropyl)benzene;3-methylbutan-1-amine;2-methylbutane;2-(3-methylbutan-2-yl)pyrimidine;6-(3-methylbutyl)-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;1-(3-methylbutyl)pyrrolidin-2-one;1-methyl-4-(3-methylbutan-2-yl)pyrazole;1-methyl-5-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;3-methyl-1-methylsulfonylbutane;4-methylpentan-2-amine;1-(2-methylpropyl)bicyclo[3.1.0]hexane;2-methylpropylcyclopropane;2-(2-methylpropyl)oxane;2-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrrolidine;3-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 157252311
CID 157543530
CID 157543530
1-[6-(4-Fluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;(4-methylpiperazin-1-yl)-[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methanone;6-(1-methylpyrazol-4-yl)-1-[6-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;6-(1-methylpyrazol-4-yl)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine;hydrochloride
CID 157828776
3-[5-cyclopropyl-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-N-[[5-fluoro-4-[[5-(fluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]methyl]-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[(5-fluoro-2-pyridinyl)methoxy]-2-pyridinyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[3-(trifluoromethyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-4-yl]propan-1-one
CID 159238294
N-[(4,4-difluorocyclohexyl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;2-hydroxy-2-methyl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]propan-1-one;2-morpholin-4-yl-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(oxan-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(4-propan-2-yloxycyclohexyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(thian-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-1,4-thiazinane 1,1-dioxide
CID 159792197
4-[2-[2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-5-fluorophenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;1-[6-[2-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethoxy]-4-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-methylmethanamine;4-[2-[5-fluoro-2-[3-[2-(methylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]ethyl]-N,N,1,5-tetramethylpyrazole-3-carboxamide;1-[6-[4-fluoro-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 164073176
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-6-methylpyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(2-methoxy-3-pyridinyl)-2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;(4-methylpiperazin-1-yl)-[6-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrazin-2-yl]methanone;[6-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 165084744
[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)methanone;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 167626177
[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;[(2S)-2-[(5-ethylpyrimidin-2-yl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;methane;[(2S)-2-[(5-methyl-2-pyridinyl)oxymethyl]pyrrolidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone;(2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone;(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
CID 167655301
[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

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The IUPAC name of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine (CID 163762527) is [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine.
What is the SMILES notation for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The canonical SMILES for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(COC)nn(C)c3C)cn12.CNCc1cnc2ccc(-c3ccc(F)cc3OCCc3c(CS(C)(=O)=O)nn(C)c3C)cn12.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(C(=O)N2CCOCC2)nn1C.Cc1c(CCOc2cc(F)ccc2-c2ccc3ncc(CCN)n3c2)c(CS(C)(=O)=O)nn1C.
What is the InChIKey of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
The InChIKey is LZKPGGKYWXDLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O3.2C24H28FN5O3S.C24H28FN5O2/c1-18-22(26(31-32(18)2)27(35)33-10-13-36-14-11-33)8-12-37-24-15-20(28)4-5-23(24)19-3-6-25-30-16-21(7-9-29)34(25)17-19;1-16-20(22(28-29(16)3)15-34(4,31)32)9-10-33-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17;1-16-20(22(28-29(16)2)15-34(3,31)32)9-11-33-23-12-18(25)5-6-21(23)17-4-7-24-27-13-19(8-10-26)30(24)14-17;1-16-20(22(15-31-4)28-29(16)3)9-10-32-23-11-18(25)6-7-21(23)17-5-8-24-27-13-19(12-26-2)30(24)14-17/h3-6,15-17H,7-14,29H2,1-2H3;5-8,11,13-14,26H,9-10,12,15H2,1-4H3;4-7,12-14H,8-11,15,26H2,1-3H3;5-8,11,13-14,26H,9-10,12,15H2,1-4H3.
What are the key properties of [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine?
[4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine has a molecular weight of 1915.27 g/mol, XLogP of 12.36, 35 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[3-(2-aminoethyl)imidazo[1,2-a]pyridin-6-yl]-5-fluorophenoxy]ethyl]-1,5-dimethylpyrazol-3-yl]-morpholin-4-ylmethanone;2-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]ethanamine;1-[6-[2-[2-[1,5-dimethyl-3-(methylsulfonylmethyl)pyrazol-4-yl]ethoxy]-4-fluorophenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;1-[6-[4-fluoro-2-[2-[3-(methoxymethyl)-1,5-dimethylpyrazol-4-yl]ethoxy]phenyl]imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 163762527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).