2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

C148H145F3N24O4S — CID 163774145

IUPAC2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCN1CCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(-c4ccc5c(c4)OCCN5C)ncc32)CC1.CN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1.CN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(c4)ncn5C)ncc32)CC1.CN1CCOc2cc(-c3ncc4c(ccn4CC4(C)CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4(C)CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C31H31FN4O.C30H30FN5O.C30H28FN5.C29H28N6.C28H28N4O2S/c1-31(11-4-3-5-12-31)20-36-13-10-24-27(36)19-34-30(29(24)21-6-7-23(18-33)25(32)16-21)22-8-9-26-28(17-22)37-15-14-35(26)2;1-34-10-7-20(8-11-34)19-36-12-9-24-27(36)18-33-30(29(24)21-3-4-23(17-32)25(31)15-21)22-5-6-26-28(16-22)37-14-13-35(26)2;1-30(11-4-3-5-12-30)19-36-13-10-24-27(36)18-33-29(21-8-9-26-23(14-21)17-34-35(26)2)28(24)20-6-7-22(16-32)25(31)15-20;1-33-12-9-21(10-13-33)18-35-14-11-24-27(35)17-31-29(28(24)22-5-3-20(16-30)4-6-22)23-7-8-26-25(15-23)32-19-34(26)2;1-31-14-11-21(12-15-31)19-32-16-13-25-26(32)18-30-28(23-7-9-24(10-8-23)35(2,33)34)27(25)22-5-3-20(17-29)4-6-22/h6-10,13,16-17,19H,3-5,11-12,14-15,20H2,1-2H3;3-6,9,12,15-16,18,20H,7-8,10-11,13-14,19H2,1-2H3;6-10,13-15,17-18H,3-5,11-12,19H2,1-2H3;3-8,11,14-15,17,19,21H,9-10,12-13,18H2,1-2H3;3-10,13,16,18,21H,11-12,14-15,19H2,1-2H3
InChIKeyMIYPYLIRYKMTGU-UHFFFAOYSA-N
MW2413.01 g/mol
LogP30.43
Rot. Bonds21

About 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile

2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (PubChem CID 163774145) has the molecular formula C148H145F3N24O4S and a molecular weight of 2413.01 g/mol. Its IUPAC name is 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
PubChem CID163774145
Molecular FormulaC148H145F3N24O4S
Molecular Weight2413.01 g/mol
Exact Mass2411.16
IUPAC Name2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile
SMILESCN1CCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(-c4ccc5c(c4)OCCN5C)ncc32)CC1.CN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1.CN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(c4)ncn5C)ncc32)CC1.CN1CCOc2cc(-c3ncc4c(ccn4CC4(C)CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4(C)CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21
InChIInChI=1S/C31H31FN4O.C30H30FN5O.C30H28FN5.C29H28N6.C28H28N4O2S/c1-31(11-4-3-5-12-31)20-36-13-10-24-27(36)19-34-30(29(24)21-6-7-23(18-33)25(32)16-21)22-8-9-26-28(17-22)37-15-14-35(26)2;1-34-10-7-20(8-11-34)19-36-12-9-24-27(36)18-33-30(29(24)21-3-4-23(17-32)25(31)15-21)22-5-6-26-28(16-22)37-14-13-35(26)2;1-30(11-4-3-5-12-30)19-36-13-10-24-27(36)18-33-29(21-8-9-26-23(14-21)17-34-35(26)2)28(24)20-6-7-22(16-32)25(31)15-20;1-33-12-9-21(10-13-33)18-35-14-11-24-27(35)17-31-29(28(24)22-5-3-20(16-30)4-6-22)23-7-8-26-25(15-23)32-19-34(26)2;1-31-14-11-21(12-15-31)19-32-16-13-25-26(32)18-30-28(23-7-9-24(10-8-23)35(2,33)34)27(25)22-5-3-20(17-29)4-6-22/h6-10,13,16-17,19H,3-5,11-12,14-15,20H2,1-2H3;3-6,9,12,15-16,18,20H,7-8,10-11,13-14,19H2,1-2H3;6-10,13-15,17-18H,3-5,11-12,19H2,1-2H3;3-8,11,14-15,17,19,21H,9-10,12-13,18H2,1-2H3;3-10,13,16,18,21H,11-12,14-15,19H2,1-2H3
InChIKeyMIYPYLIRYKMTGU-UHFFFAOYSA-N
XLogP30.43
TPSA312.49 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.01
LogP ≤ 530.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile with MolForge

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Related Compounds

3-(difluoromethoxy)pyridine;1,4-dimethylindazole;1,6-dimethylindazole;N,N-dimethylpyridin-2-amine;5-fluoropyrimidine;3-methoxypyridazine;bis(2-methoxypyridine);3-methoxypyridine;2-methoxypyrimidine;bis(1-methylbenzimidazole);bis(1-methylindazole);1-methylindole;2-methylpyridine;2-methylpyrimidine;methylsulfonylbenzene;pyrazine;tris(pyridine);3-(trifluoromethoxy)benzonitrile;2-(trifluoromethyl)pyridine;3-(trifluoromethyl)pyridine
CID 158556853
[4-Chloro-2,8-dimethoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-8-fluoro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]-(3-methylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-(4-methylphenyl)methanol
CID 160817473
4-Tert-butyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(isocyanomethyl)piperidine;4-tert-butyl-1-(1,3-dihydro-2-benzothiophen-5-ylmethyl)-4-(isocyanomethyl)piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine;1-[4-[[4-tert-butyl-4-(isocyanomethyl)piperidin-1-yl]methyl]phenyl]benzimidazole;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(propan-2-ylsulfonylmethyl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[4-(triazol-2-yl)phenyl]methyl]piperidine;4-tert-butyl-4-(isocyanomethyl)-1-[[3-(trifluoromethylsulfonylmethyl)phenyl]methyl]piperidine
CID 161718641
N,N-diethyl-4-methoxy-3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]benzenesulfonamide;3-methyl-4-[(3-methylsulfonylphenyl)methyl]-2H-pyrazolo[4,3-c]pyridine;3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine;4-[4-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)amino]phenyl]benzonitrile;4-[[3-[(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)methyl]phenyl]methyl]morpholine;3-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 162033794
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-3,4,6,7-tetrahydropyrido[2,1-c][1,2,4]oxadiazine;(9Z)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-7-methyl-3,4,6,7-tetrahydro-[1,4]oxazino[3,4-c][1,2,4]oxadiazine;(9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(1-methylpyrazol-4-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine;(4S)-3-(3-fluoro-5-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-4-methyl-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]oxadiazine;9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-4-[(4-methylphenyl)sulfonylmethyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]oxadiazine
CID 157409982
1-[3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]piperidine-4-carbonitrile;N-(4-fluorophenyl)-4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]benzenesulfonamide;N-[4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]cyclopropanesulfonamide;4-[4-(3-hydroxy-3-methylbut-1-ynyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrrolidin-1-ylbenzonitrile;2-methyl-4-[3-(1-methylindazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;2-methyl-4-[3-(4-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol;1-[3-[2-(1-methylpyrazol-4-yl)ethynyl]imidazo[1,2-a]pyridin-5-yl]piperidine-4-carbonitrile
CID 158591411
1-cyclopropyl-5-propan-2-ylbenzimidazole;2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(2-methylidene-6-propan-2-yl-3,4-dihydro-1H-quinoline);4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-2-propan-2-ylindole;1-methyl-6-propan-2-ylindole;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 159044177
4-Fluoro-1-methyl-5-propan-2-ylindazole;6-fluoro-1-methyl-5-propan-2-ylindazole;7-fluoro-1-methyl-5-propan-2-ylindazole;4-fluoro-1-methyl-5-propan-2-ylindole;6-fluoro-1-methyl-5-propan-2-ylindole;7-fluoro-1-methyl-5-propan-2-ylindole;1-isocyano-4-propan-2-ylbenzene;2-methyl-5-propan-2-yl-1,3-benzothiazole;4-methyl-6-propan-2-yl-2,3-dihydro-1,4-benzoxazine;4-methyl-7-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-ylpyrazolo[3,4-c]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1-methyl-5-propan-2-ylpyrrolo[2,3-c]pyridine;5-propan-2-yl-3a,7a-dihydro-1,3-benzodioxole
CID 159227492
2-[3-[4-[4-(benzenesulfonyl)-2,6-dimethylphenyl]pyrazol-1-yl]-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-phenoxyphenyl)pyrazol-1-yl]-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(2,6-dimethyl-4-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[4-(4-fluoro-2,6-dimethylphenyl)pyrazol-1-yl]-5-(3-methylbutyl)benzene-2-id-1-yl]oxy-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 159493975
tert-butylcyclohexane;6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-1,4-benzoxazin-3-one;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;1-tert-butylnaphthalene;4-tert-butyloxane;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;4-(8-tert-butylquinolin-2-yl)morpholine;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 159682485
CID 159729089
CID 159729089
6-tert-butyl-1-cyclohexylindazole;5-tert-butyl-N,N-dimethylpyridin-3-amine;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylindazole;6-tert-butyl-1-methylindazole;5-tert-butyl-4-methyl-3-methylidene-1,4-benzoxazine;6-tert-butyl-1-(1-methylpiperidin-4-yl)indazole;4-tert-butyloxane;8-tert-butyl-2-piperidin-1-ylquinoline;2-tert-butyl-3-propan-2-ylpyridine;3-tert-butylpyridin-2-amine;8-tert-butylquinoline;methane
CID 160484243

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The IUPAC name of 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile (CID 163774145) is 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is CN1CCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(-c4ccc5c(c4)OCCN5C)ncc32)CC1.CN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc(S(C)(=O)=O)cc4)ncc32)CC1.CN1CCC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(c4)ncn5C)ncc32)CC1.CN1CCOc2cc(-c3ncc4c(ccn4CC4(C)CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.Cn1ncc2cc(-c3ncc4c(ccn4CC4(C)CCCCC4)c3-c3ccc(C#N)c(F)c3)ccc21.
What is the InChIKey of 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
The InChIKey is MIYPYLIRYKMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN4O.C30H30FN5O.C30H28FN5.C29H28N6.C28H28N4O2S/c1-31(11-4-3-5-12-31)20-36-13-10-24-27(36)19-34-30(29(24)21-6-7-23(18-33)25(32)16-21)22-8-9-26-28(17-22)37-15-14-35(26)2;1-34-10-7-20(8-11-34)19-36-12-9-24-27(36)18-33-30(29(24)21-3-4-23(17-32)25(31)15-21)22-5-6-26-28(16-22)37-14-13-35(26)2;1-30(11-4-3-5-12-30)19-36-13-10-24-27(36)18-33-29(21-8-9-26-23(14-21)17-34-35(26)2)28(24)20-6-7-22(16-32)25(31)15-20;1-33-12-9-21(10-13-33)18-35-14-11-24-27(35)17-31-29(28(24)22-5-3-20(16-30)4-6-22)23-7-8-26-25(15-23)32-19-34(26)2;1-31-14-11-21(12-15-31)19-32-16-13-25-26(32)18-30-28(23-7-9-24(10-8-23)35(2,33)34)27(25)22-5-3-20(17-29)4-6-22/h6-10,13,16-17,19H,3-5,11-12,14-15,20H2,1-2H3;3-6,9,12,15-16,18,20H,7-8,10-11,13-14,19H2,1-2H3;6-10,13-15,17-18H,3-5,11-12,19H2,1-2H3;3-8,11,14-15,17,19,21H,9-10,12-13,18H2,1-2H3;3-10,13,16,18,21H,11-12,14-15,19H2,1-2H3.
What are the key properties of 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile?
2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile has a molecular weight of 2413.01 g/mol, XLogP of 30.43, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[1-[(1-methylcyclohexyl)methyl]-5-(1-methylindazol-5-yl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;2-fluoro-4-[5-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[5-(1-methylbenzimidazol-5-yl)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolo[2,3-c]pyridin-4-yl]benzonitrile;4-[1-[(1-methylpiperidin-4-yl)methyl]-5-(4-methylsulfonylphenyl)pyrrolo[2,3-c]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 163774145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).