4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine

C187H193F10N37O9S2 — CID 159184958

IUPAC4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
SMILESCn1c2c(c3ccccc31)CCN(c1ccc(N3CCOCC3)cn1)C2.Cn1c2c(c3ccccc31)CCN(c1ccc(N3CCOCC3)nc1)C2.Fc1ccc2[nH]c3c(c2c1)CC1CCC3N1c1ccc(N2CCOCC2)cn1.Fc1ccc2[nH]c3c(c2c1)CCN(c1cc2sc(N4CCOCC4)nc2cn1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc(N2CCOCC2)c(F)c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cncc(N2CCOCC2)c1)C3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)c(F)c1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1cnc(N2CCOCC2)c(F)c1)CC3
InChIInChI=1S/C22H23FN4O.C21H21F2N3O.2C21H20FN5OS.2C21H24N4O.2C20H20F2N4O.C20H21FN4O/c23-14-1-4-19-17(11-14)18-12-15-2-5-20(22(18)25-19)27(15)21-6-3-16(13-24-21)26-7-9-28-10-8-26;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(9-13)14-3-4-27(12-18(14)24-16)20-10-19-17(11-23-20)25-21(29-19)26-5-7-28-8-6-26;1-23-19-5-3-2-4-17(19)18-8-9-25(15-20(18)23)16-6-7-21(22-14-16)24-10-12-26-13-11-24;1-23-19-5-3-2-4-17(19)18-8-9-25(15-20(18)23)21-7-6-16(14-22-21)24-10-12-26-13-11-24;21-13-1-2-18-16(9-13)15-3-4-26(12-19(15)24-18)14-10-17(22)20(23-11-14)25-5-7-27-8-6-25;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;21-14-1-2-19-18(9-14)17-3-4-25(13-20(17)23-19)16-10-15(11-22-12-16)24-5-7-26-8-6-24/h1,3-4,6,11,13,15,20,25H,2,5,7-10,12H2;1-4,11-12,24H,5-10,13H2;2*1-2,9-11,24H,3-8,12H2;2*2-7,14H,8-13,15H2,1H3;2*1-2,9-11,24H,3-8,12H2;1-2,9-12,23H,3-8,13H2
InChIKeyKNJFSFYCUPAQOQ-UHFFFAOYSA-N
MW3356.96 g/mol
LogP30.60
Rot. Bonds18

About 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine

4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine (PubChem CID 159184958) has the molecular formula C187H193F10N37O9S2 and a molecular weight of 3356.96 g/mol. Its IUPAC name is 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
PubChem CID159184958
Molecular FormulaC187H193F10N37O9S2
Molecular Weight3356.96 g/mol
Exact Mass3354.51
IUPAC Name4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine
SMILESCn1c2c(c3ccccc31)CCN(c1ccc(N3CCOCC3)cn1)C2.Cn1c2c(c3ccccc31)CCN(c1ccc(N3CCOCC3)nc1)C2.Fc1ccc2[nH]c3c(c2c1)CC1CCC3N1c1ccc(N2CCOCC2)cn1.Fc1ccc2[nH]c3c(c2c1)CCN(c1cc2sc(N4CCOCC4)nc2cn1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc(N2CCOCC2)c(F)c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cncc(N2CCOCC2)c1)C3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)c(F)c1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1cnc(N2CCOCC2)c(F)c1)CC3
InChIInChI=1S/C22H23FN4O.C21H21F2N3O.2C21H20FN5OS.2C21H24N4O.2C20H20F2N4O.C20H21FN4O/c23-14-1-4-19-17(11-14)18-12-15-2-5-20(22(18)25-19)27(15)21-6-3-16(13-24-21)26-7-9-28-10-8-26;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(9-13)14-3-4-27(12-18(14)24-16)20-10-19-17(11-23-20)25-21(29-19)26-5-7-28-8-6-26;1-23-19-5-3-2-4-17(19)18-8-9-25(15-20(18)23)16-6-7-21(22-14-16)24-10-12-26-13-11-24;1-23-19-5-3-2-4-17(19)18-8-9-25(15-20(18)23)21-7-6-16(14-22-21)24-10-12-26-13-11-24;21-13-1-2-18-16(9-13)15-3-4-26(12-19(15)24-18)14-10-17(22)20(23-11-14)25-5-7-27-8-6-25;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;21-14-1-2-19-18(9-14)17-3-4-25(13-20(17)23-19)16-10-15(11-22-12-16)24-5-7-26-8-6-24/h1,3-4,6,11,13,15,20,25H,2,5,7-10,12H2;1-4,11-12,24H,5-10,13H2;2*1-2,9-11,24H,3-8,12H2;2*2-7,14H,8-13,15H2,1H3;2*1-2,9-11,24H,3-8,12H2;1-2,9-12,23H,3-8,13H2
InChIKeyKNJFSFYCUPAQOQ-UHFFFAOYSA-N
XLogP30.60
TPSA390.68 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds18
Heavy Atoms245
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003356.96
LogP ≤ 530.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

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-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
The IUPAC name of 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine (CID 159184958) is 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
The canonical SMILES for 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine is Cn1c2c(c3ccccc31)CCN(c1ccc(N3CCOCC3)cn1)C2.Cn1c2c(c3ccccc31)CCN(c1ccc(N3CCOCC3)nc1)C2.Fc1ccc2[nH]c3c(c2c1)CC1CCC3N1c1ccc(N2CCOCC2)cn1.Fc1ccc2[nH]c3c(c2c1)CCN(c1cc2sc(N4CCOCC4)nc2cn1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc(N2CCOCC2)c(F)c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cnc2nc(N4CCOCC4)sc2c1)C3.Fc1ccc2[nH]c3c(c2c1)CCN(c1cncc(N2CCOCC2)c1)C3.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)c(F)c1)CC3.Fc1ccc2c3c([nH]c2c1)CN(c1cnc(N2CCOCC2)c(F)c1)CC3.
What is the InChIKey of 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
The InChIKey is KNJFSFYCUPAQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O.C21H21F2N3O.2C21H20FN5OS.2C21H24N4O.2C20H20F2N4O.C20H21FN4O/c23-14-1-4-19-17(11-14)18-12-15-2-5-20(22(18)25-19)27(15)21-6-3-16(13-24-21)26-7-9-28-10-8-26;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(9-13)14-3-4-27(12-18(14)24-16)20-10-19-17(11-23-20)25-21(29-19)26-5-7-28-8-6-26;1-23-19-5-3-2-4-17(19)18-8-9-25(15-20(18)23)16-6-7-21(22-14-16)24-10-12-26-13-11-24;1-23-19-5-3-2-4-17(19)18-8-9-25(15-20(18)23)21-7-6-16(14-22-21)24-10-12-26-13-11-24;21-13-1-2-18-16(9-13)15-3-4-26(12-19(15)24-18)14-10-17(22)20(23-11-14)25-5-7-27-8-6-25;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;21-14-1-2-19-18(9-14)17-3-4-25(13-20(17)23-19)16-10-15(11-22-12-16)24-5-7-26-8-6-24/h1,3-4,6,11,13,15,20,25H,2,5,7-10,12H2;1-4,11-12,24H,5-10,13H2;2*1-2,9-11,24H,3-8,12H2;2*2-7,14H,8-13,15H2,1H3;2*1-2,9-11,24H,3-8,12H2;1-2,9-12,23H,3-8,13H2.
What are the key properties of 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine?
4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine has a molecular weight of 3356.96 g/mol, XLogP of 30.60, 18 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(7-fluoro-3,15-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4(9),5,7-tetraen-15-yl)-3-pyridinyl]morpholine;4-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[3-fluoro-5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[3-fluoro-5-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-pyridinyl]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;4-[6-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine;4-[5-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-3-pyridinyl]morpholine is sourced from PubChem (CID 159184958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).