N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

C72H65FN12O7S — CID 159577666

IUPACN,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(C)c3)c3nccn23)cc1.CC(=O)c1ccc(-c2ccc(Nc3ccc(S(C)(=O)=O)cc3)c3nccn23)cc1F.CN(C)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C26H26N4O2.C24H21N5O2.C22H18FN3O3S/c1-18-17-22(7-9-24(18)29-13-15-32-16-14-29)28-23-8-10-25(30-12-11-27-26(23)30)21-5-3-20(4-6-21)19(2)31;1-28(2)24(31)15-3-6-18(7-4-15)27-20-9-10-21(29-12-11-25-22(20)29)16-5-8-19-17(13-16)14-26-23(19)30;1-14(27)18-8-3-15(13-19(18)23)21-10-9-20(22-24-11-12-26(21)22)25-16-4-6-17(7-5-16)30(2,28)29/h3-12,17,28H,13-16H2,1-2H3;3-13,27H,14H2,1-2H3,(H,26,30);3-13,25H,1-2H3
InChIKeyMIPNTOLEDGGFEA-UHFFFAOYSA-N
MW1261.45 g/mol
LogP13.27
Rot. Bonds14

About N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone

N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (PubChem CID 159577666) has the molecular formula C72H65FN12O7S and a molecular weight of 1261.45 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.

Molecular Properties

Compound NameN,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
PubChem CID159577666
Molecular FormulaC72H65FN12O7S
Molecular Weight1261.45 g/mol
Exact Mass1260.48
IUPAC NameN,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(C)c3)c3nccn23)cc1.CC(=O)c1ccc(-c2ccc(Nc3ccc(S(C)(=O)=O)cc3)c3nccn23)cc1F.CN(C)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1
InChIInChI=1S/C26H26N4O2.C24H21N5O2.C22H18FN3O3S/c1-18-17-22(7-9-24(18)29-13-15-32-16-14-29)28-23-8-10-25(30-12-11-27-26(23)30)21-5-3-20(4-6-21)19(2)31;1-28(2)24(31)15-3-6-18(7-4-15)27-20-9-10-21(29-12-11-25-22(20)29)16-5-8-19-17(13-16)14-26-23(19)30;1-14(27)18-8-3-15(13-19(18)23)21-10-9-20(22-24-11-12-26(21)22)25-16-4-6-17(7-5-16)30(2,28)29/h3-12,17,28H,13-16H2,1-2H3;3-13,27H,14H2,1-2H3,(H,26,30);3-13,25H,1-2H3
InChIKeyMIPNTOLEDGGFEA-UHFFFAOYSA-N
XLogP13.27
TPSA218.15 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001261.45
LogP ≤ 513.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone with MolForge

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Related Compounds

4-[1-[[6-[2-(dimethylamino)propan-2-yl]-4-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]morpholin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]-7-[[5-[(4S)-1-methyl-2-oxopiperidin-4-yl]-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166357
4-[1-[[(6S)-6-[2-(dimethylamino)propan-2-yl]-4-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]morpholin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]-7-[[6-methyl-5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156166601
4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[5-[(1S)-2-[7-fluoro-3-[7-[[5-[(1R)-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-1-oxo-2,3-dihydroisoindol-4-yl]imidazo[1,2-a]pyridin-8-yl]-1-morpholin-4-ylethyl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 156418516
2-[6-[2-[3-fluoro-4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]phenyl]sulfonylacetyl]-2-pyridinyl]-N-imidazo[1,2-a]pyrazin-2-yl-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 157248252
N-(2-methoxyethyl)-N-methyl-4-[[5-(1-methylidene-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;5-[8-[4-(4-propan-2-ylpiperazin-1-yl)-3-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one;5-[8-[4-(1-propan-2-ylpiperidin-4-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 158117159
2-[6-[2-[3-fluoro-4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]phenyl]sulfonylacetyl]-2-pyridinyl]-N-imidazo[1,2-a]pyridin-2-yl-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 158751702
3-[2-(8-aminoimidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;2-[3-[2-[(dimethylamino)methyl]imidazol-1-yl]-5-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone
CID 159324572
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[5-methyl-1-(5-methylthiophen-2-yl)imidazol-4-yl]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-[1-[dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-6-[4-methyl-6-(1-methylpiperidin-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;N-[2-[2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[2-methyl-4-(1-methylpiperidin-3-yl)phenyl]-7-oxopyrido[2,3-d]pyrimidin-8-yl]ethyl]-N-methylmethanesulfonamide;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 159774240
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-[5-methyl-1-(5-methylthiophen-2-yl)imidazol-4-yl]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-[2-[[dihydroxy(methyl)-lambda4-sulfanyl]-methylamino]ethyl]-2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[2-methyl-4-(1-methylpiperidin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-[1-[dihydroxy(methyl)-lambda4-sulfanyl]piperidin-4-yl]-6-[4-methyl-6-(1-methylpiperidin-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160814064
8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide
CID 162136151
N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]-4-methylsulfonylbenzamide
CID 11650195
4-[8-[4-(4-Cyclobutylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]benzamide;5-[8-[[4-(pyrrolidin-3-ylmethylsulfonyl)phenyl]methyl]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 123148627

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
The IUPAC name of N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone (CID 159577666) is N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone.
What is the SMILES notation for N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
The canonical SMILES for N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(Nc3ccc(N4CCOCC4)c(C)c3)c3nccn23)cc1.CC(=O)c1ccc(-c2ccc(Nc3ccc(S(C)(=O)=O)cc3)c3nccn23)cc1F.CN(C)C(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)CNC4=O)n3ccnc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
The InChIKey is MIPNTOLEDGGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.C24H21N5O2.C22H18FN3O3S/c1-18-17-22(7-9-24(18)29-13-15-32-16-14-29)28-23-8-10-25(30-12-11-27-26(23)30)21-5-3-20(4-6-21)19(2)31;1-28(2)24(31)15-3-6-18(7-4-15)27-20-9-10-21(29-12-11-25-22(20)29)16-5-8-19-17(13-16)14-26-23(19)30;1-14(27)18-8-3-15(13-19(18)23)21-10-9-20(22-24-11-12-26(21)22)25-16-4-6-17(7-5-16)30(2,28)29/h3-12,17,28H,13-16H2,1-2H3;3-13,27H,14H2,1-2H3,(H,26,30);3-13,25H,1-2H3.
What are the key properties of N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone?
N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone has a molecular weight of 1261.45 g/mol, XLogP of 13.27, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[5-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide;1-[2-fluoro-4-[8-(4-methylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone;1-[4-[8-(3-methyl-4-morpholin-4-ylanilino)imidazo[1,2-a]pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 159577666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).