4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine

C127H128F6N28O6S — CID 161099527

IUPAC4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine
SMILESCn1c2c(c3ccc(F)cc31)CN(c1ccc(N3CCOCC3)nc1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)ccc2c1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1ccnc(N2CCOCC2)n1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1cnc(N2CCOCC2)cn1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1cnc2nc(N4CCOCC4)ccc2c1)CC3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc2nc(N4CCOCC4)sc2n1)C3
InChIInChI=1S/C24H23FN4O.C23H22FN5O.C21H20FN5OS.C21H23FN4O.2C19H20FN5O/c25-17-2-4-22-19(14-17)20-15-29(8-7-23(20)26-22)18-3-5-21-16(13-18)1-6-24(27-21)28-9-11-30-12-10-28;24-16-2-3-20-18(12-16)19-14-29(6-5-21(19)26-20)17-11-15-1-4-22(27-23(15)25-13-17)28-7-9-30-10-8-28;22-13-1-2-14-15-12-27(6-5-16(15)23-18(14)11-13)19-4-3-17-20(25-19)29-21(24-17)26-7-9-28-10-8-26;1-24-19-6-7-26(14-18(19)17-4-2-15(22)12-20(17)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;20-13-1-2-16-14(11-13)15-12-25(6-4-17(15)22-16)18-3-5-21-19(23-18)24-7-9-26-10-8-24;20-13-1-2-16-14(9-13)15-12-25(4-3-17(15)23-16)19-11-21-18(10-22-19)24-5-7-26-8-6-24/h1-6,13-14,26H,7-12,15H2;1-4,11-13,26H,5-10,14H2;1-4,11,23H,5-10,12H2;2-5,12-13H,6-11,14H2,1H3;1-3,5,11,22H,4,6-10,12H2;1-2,9-11,23H,3-8,12H2
InChIKeyUIFUVBGWOOOVSE-UHFFFAOYSA-N
MW2288.67 g/mol
LogP19.72
Rot. Bonds12

About 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine

4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine (PubChem CID 161099527) has the molecular formula C127H128F6N28O6S and a molecular weight of 2288.67 g/mol. Its IUPAC name is 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine
PubChem CID161099527
Molecular FormulaC127H128F6N28O6S
Molecular Weight2288.67 g/mol
Exact Mass2287.02
IUPAC Name4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine
SMILESCn1c2c(c3ccc(F)cc31)CN(c1ccc(N3CCOCC3)nc1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)ccc2c1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1ccnc(N2CCOCC2)n1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1cnc(N2CCOCC2)cn1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1cnc2nc(N4CCOCC4)ccc2c1)CC3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc2nc(N4CCOCC4)sc2n1)C3
InChIInChI=1S/C24H23FN4O.C23H22FN5O.C21H20FN5OS.C21H23FN4O.2C19H20FN5O/c25-17-2-4-22-19(14-17)20-15-29(8-7-23(20)26-22)18-3-5-21-16(13-18)1-6-24(27-21)28-9-11-30-12-10-28;24-16-2-3-20-18(12-16)19-14-29(6-5-21(19)26-20)17-11-15-1-4-22(27-23(15)25-13-17)28-7-9-30-10-8-28;22-13-1-2-14-15-12-27(6-5-16(15)23-18(14)11-13)19-4-3-17-20(25-19)29-21(24-17)26-7-9-28-10-8-26;1-24-19-6-7-26(14-18(19)17-4-2-15(22)12-20(17)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;20-13-1-2-16-14(11-13)15-12-25(6-4-17(15)22-16)18-3-5-21-19(23-18)24-7-9-26-10-8-24;20-13-1-2-16-14(9-13)15-12-25(4-3-17(15)23-16)19-11-21-18(10-22-19)24-5-7-26-8-6-24/h1-6,13-14,26H,7-12,15H2;1-4,11-13,26H,5-10,14H2;1-4,11,23H,5-10,12H2;2-5,12-13H,6-11,14H2,1H3;1-3,5,11,22H,4,6-10,12H2;1-2,9-11,23H,3-8,12H2
InChIKeyUIFUVBGWOOOVSE-UHFFFAOYSA-N
XLogP19.72
TPSA307.04 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002288.67
LogP ≤ 519.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine with MolForge

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Related Compounds

4-[5-(5-fluoro-1H-indol-4-yl)-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-yl]morpholine
CID 25123393
N-[1-[[2-(7-fluoro-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N'-[1-[[2-(5-fluoro-2-methylindol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]-N,N'-dimethylethane-1,2-diamine
CID 91298900
6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine
CID 157406004
CID 157594521
CID 157594521
N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(1-methoxypropan-2-yl)-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-[2-(trifluoromethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 157826901
5-chloro-4-methylpyrimidin-2-amine;4-chloro-2-methyl-3-(trifluoromethyl)pyridine;2-(4,4-difluoropiperidin-1-yl)-4,5-dimethylpyrimidine;2,4-dimethyl-1H-indole;3,4-dimethylpyridazine;4,5-dimethylpyrimidin-2-amine;bis(4,5-dimethylpyrimidine);4,5-dimethylpyrimidine-2-carboxamide;4-(4,5-dimethylpyrimidin-2-yl)morpholine;4,6-dimethylquinazoline;4-(4,6-dimethylquinazolin-2-yl)morpholine;6-fluoro-2,4-dimethylquinazoline;6-fluoro-2,5-dimethylquinazoline;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;6-fluoro-5-methylquinoline;5-methylimidazo[1,2-c]pyrimidine;4-methyl-1H-indole;4-(1-methylisoquinolin-3-yl)morpholine;1-methylpyrrolo[1,2-c]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;bis(4-methyl-5,6,7,8-tetrahydroquinazoline);4-methyl-1,3-thiazole;4-(4-methyl-1,3-thiazol-2-yl)morpholine;4-methyl-2-(trifluoromethyl)-1H-indole
CID 157957855
bis(2-methyl-4-[5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole);4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;2-[5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole;bis(4-[4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine)
CID 158963062
6-(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine;N-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]-1,3-benzothiazol-2-amine;N-[4-(trifluoromethyl)phenyl]-6-(2,4,6-trimethylbenzimidazol-1-yl)pyrazin-2-amine
CID 159999874
N-(2-cyclopropyloxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-ethoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(1-methoxypropan-2-yl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-[2-(trifluoromethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 160123899
3-[2-(4-acetylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(azetidin-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-isoquinolin-4-yl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-isoquinolin-5-yl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-oxopiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
CID 161554622
3-[2-(4-acetylpiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-isoquinolin-4-yl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-isoquinolin-5-yl-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-oxopiperazin-1-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-phenyl-1,3-thiazol-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
CID 161631569

Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine?
The IUPAC name of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine (CID 161099527) is 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine?
The canonical SMILES for 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine is Cn1c2c(c3ccc(F)cc31)CN(c1ccc(N3CCOCC3)nc1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc2nc(N4CCOCC4)ccc2c1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1ccnc(N2CCOCC2)n1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1cnc(N2CCOCC2)cn1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1cnc2nc(N4CCOCC4)ccc2c1)CC3.Fc1ccc2c3c([nH]c2c1)CCN(c1ccc2nc(N4CCOCC4)sc2n1)C3.
What is the InChIKey of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine?
The InChIKey is UIFUVBGWOOOVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O.C23H22FN5O.C21H20FN5OS.C21H23FN4O.2C19H20FN5O/c25-17-2-4-22-19(14-17)20-15-29(8-7-23(20)26-22)18-3-5-21-16(13-18)1-6-24(27-21)28-9-11-30-12-10-28;24-16-2-3-20-18(12-16)19-14-29(6-5-21(19)26-20)17-11-15-1-4-22(27-23(15)25-13-17)28-7-9-30-10-8-28;22-13-1-2-14-15-12-27(6-5-16(15)23-18(14)11-13)19-4-3-17-20(25-19)29-21(24-17)26-7-9-28-10-8-26;1-24-19-6-7-26(14-18(19)17-4-2-15(22)12-20(17)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;20-13-1-2-16-14(11-13)15-12-25(6-4-17(15)22-16)18-3-5-21-19(23-18)24-7-9-26-10-8-24;20-13-1-2-16-14(9-13)15-12-25(4-3-17(15)23-16)19-11-21-18(10-22-19)24-5-7-26-8-6-24/h1-6,13-14,26H,7-12,15H2;1-4,11-13,26H,5-10,14H2;1-4,11,23H,5-10,12H2;2-5,12-13H,6-11,14H2,1H3;1-3,5,11,22H,4,6-10,12H2;1-2,9-11,23H,3-8,12H2.
What are the key properties of 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine?
4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine has a molecular weight of 2288.67 g/mol, XLogP of 19.72, 12 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,8-naphthyridin-2-yl]morpholine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[4-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinolin-2-yl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine is sourced from PubChem (CID 161099527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).