4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine

C167H168F10N30O9S2 — CID 158271669

IUPAC4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine
SMILESCOc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N(C)C)oc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cc1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cc1F)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N4CCOCC4)sc2n1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)c(F)c1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cc1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1cnc(N2CCOCC2)c(F)c1)CC3
InChIInChI=1S/2C21H21F2N3O.2C21H20FN5OS.2C21H22FN3O.C21H22N4O2.C20H20F2N4O/c22-14-1-3-19-17(11-14)16-5-6-26(13-20(16)24-19)21-4-2-15(12-18(21)23)25-7-9-27-10-8-25;22-14-1-3-16-17-5-6-26(13-20(17)24-19(16)11-14)15-2-4-21(18(23)12-15)25-7-9-27-10-8-25;22-13-1-2-17-16(9-13)15-3-4-27(12-18(15)24-17)14-10-19-20(23-11-14)25-21(29-19)26-5-7-28-8-6-26;22-13-1-2-16-15(11-13)14-5-6-27(12-18(14)23-16)19-4-3-17-20(25-19)29-21(24-17)26-7-9-28-10-8-26;22-15-1-6-20-19(13-15)18-7-8-25(14-21(18)23-20)17-4-2-16(3-5-17)24-9-11-26-12-10-24;22-15-1-6-18-19-7-8-25(14-21(19)23-20(18)13-15)17-4-2-16(3-5-17)24-9-11-26-12-10-24;1-24(2)21-23-18-6-4-13(10-20(18)27-21)25-9-8-15-16-11-14(26-3)5-7-17(16)22-19(15)12-25;21-13-1-2-15-16-3-4-26(12-19(16)24-18(15)9-13)14-10-17(22)20(23-11-14)25-5-7-27-8-6-25/h2*1-4,11-12,24H,5-10,13H2;1-2,9-11,24H,3-8,12H2;1-4,11,23H,5-10,12H2;2*1-6,13,23H,7-12,14H2;4-7,10-11,22H,8-9,12H2,1-3H3;1-2,9-11,24H,3-8,12H2
InChIKeyGJCLDGJTZHSDFW-UHFFFAOYSA-N
MW2993.50 g/mol
LogP29.71
Rot. Bonds17

About 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine

4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine (PubChem CID 158271669) has the molecular formula C167H168F10N30O9S2 and a molecular weight of 2993.50 g/mol. Its IUPAC name is 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine
PubChem CID158271669
Molecular FormulaC167H168F10N30O9S2
Molecular Weight2993.50 g/mol
Exact Mass2991.29
IUPAC Name4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine
SMILESCOc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N(C)C)oc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cc1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cc1F)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N4CCOCC4)sc2n1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)c(F)c1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cc1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1cnc(N2CCOCC2)c(F)c1)CC3
InChIInChI=1S/2C21H21F2N3O.2C21H20FN5OS.2C21H22FN3O.C21H22N4O2.C20H20F2N4O/c22-14-1-3-19-17(11-14)16-5-6-26(13-20(16)24-19)21-4-2-15(12-18(21)23)25-7-9-27-10-8-25;22-14-1-3-16-17-5-6-26(13-20(17)24-19(16)11-14)15-2-4-21(18(23)12-15)25-7-9-27-10-8-25;22-13-1-2-17-16(9-13)15-3-4-27(12-18(15)24-17)14-10-19-20(23-11-14)25-21(29-19)26-5-7-28-8-6-26;22-13-1-2-16-15(11-13)14-5-6-27(12-18(14)23-16)19-4-3-17-20(25-19)29-21(24-17)26-7-9-28-10-8-26;22-15-1-6-20-19(13-15)18-7-8-25(14-21(18)23-20)17-4-2-16(3-5-17)24-9-11-26-12-10-24;22-15-1-6-18-19-7-8-25(14-21(19)23-20(18)13-15)17-4-2-16(3-5-17)24-9-11-26-12-10-24;1-24(2)21-23-18-6-4-13(10-20(18)27-21)25-9-8-15-16-11-14(26-3)5-7-17(16)22-19(15)12-25;21-13-1-2-15-16-3-4-26(12-19(16)24-18(15)9-13)14-10-17(22)20(23-11-14)25-5-7-27-8-6-25/h2*1-4,11-12,24H,5-10,13H2;1-2,9-11,24H,3-8,12H2;1-4,11,23H,5-10,12H2;2*1-6,13,23H,7-12,14H2;4-7,10-11,22H,8-9,12H2,1-3H3;1-2,9-11,24H,3-8,12H2
InChIKeyGJCLDGJTZHSDFW-UHFFFAOYSA-N
XLogP29.71
TPSA342.48 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002993.50
LogP ≤ 529.71
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

5-(7-Fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-[2-[4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzoxazole
CID 146601354
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-aminothieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(2,4-difluorophenyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(3-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(3-methylsulfanylphenyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(4-morpholin-4-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-phenylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(2,3,4-trifluorophenyl)thieno[2,3-b]pyridine-2-carboxamide;6-(2,3-dihydroindol-1-yl)-5-(trifluoromethylsulfonyl)pyrimidin-4-amine;(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1H-indol-2-one
CID 158602592
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-5-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenyl-4-(trifluoromethyl)-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
CID 160143860
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160676374
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91153354
5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;5-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(7-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 157058407
5-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;6-(5,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;5-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(12-fluoro-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-4-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole
CID 157156199
1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
CID 157161981
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyrazine;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-indole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;bis(2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine);2-propan-2-yl-[1,3]oxazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-d]pyrimidine;8-propan-2-yl-7H-purine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine;2-propan-2-yl-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-1H-pyrrolo[3,2-c]pyridine;6-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157179671

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
The IUPAC name of 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine (CID 158271669) is 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine is COc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N(C)C)oc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cc1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)cc1F)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc2nc(N4CCOCC4)sc2n1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)c(F)c1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cc1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1cnc(N2CCOCC2)c(F)c1)CC3.
What is the InChIKey of 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
The InChIKey is GJCLDGJTZHSDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21F2N3O.2C21H20FN5OS.2C21H22FN3O.C21H22N4O2.C20H20F2N4O/c22-14-1-3-19-17(11-14)16-5-6-26(13-20(16)24-19)21-4-2-15(12-18(21)23)25-7-9-27-10-8-25;22-14-1-3-16-17-5-6-26(13-20(17)24-19(16)11-14)15-2-4-21(18(23)12-15)25-7-9-27-10-8-25;22-13-1-2-17-16(9-13)15-3-4-27(12-18(15)24-17)14-10-19-20(23-11-14)25-21(29-19)26-5-7-28-8-6-26;22-13-1-2-16-15(11-13)14-5-6-27(12-18(14)23-16)19-4-3-17-20(25-19)29-21(24-17)26-7-9-28-10-8-26;22-15-1-6-20-19(13-15)18-7-8-25(14-21(18)23-20)17-4-2-16(3-5-17)24-9-11-26-12-10-24;22-15-1-6-18-19-7-8-25(14-21(19)23-20(18)13-15)17-4-2-16(3-5-17)24-9-11-26-12-10-24;1-24(2)21-23-18-6-4-13(10-20(18)27-21)25-9-8-15-16-11-14(26-3)5-7-17(16)22-19(15)12-25;21-13-1-2-15-16-3-4-26(12-19(16)24-18(15)9-13)14-10-17(22)20(23-11-14)25-5-7-27-8-6-25/h2*1-4,11-12,24H,5-10,13H2;1-2,9-11,24H,3-8,12H2;1-4,11,23H,5-10,12H2;2*1-6,13,23H,7-12,14H2;4-7,10-11,22H,8-9,12H2,1-3H3;1-2,9-11,24H,3-8,12H2.
What are the key properties of 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine?
4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine has a molecular weight of 2993.50 g/mol, XLogP of 29.71, 17 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]morpholine;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholine;6-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 158271669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).