7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine

C153H160F7N25O7S — CID 157216195

About 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine

7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine (PubChem CID 157216195) has the molecular formula C153H160F7N25O7S and a molecular weight of 2626.18 g/mol. Its IUPAC name is 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine.

Molecular Properties

• Compound Name: 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine
• PubChem CID: 157216195
• Molecular Formula: C153H160F7N25O7S
• Molecular Weight: 2626.18 g/mol
• Exact Mass: 2624.25
• IUPAC Name: 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine
• SMILES: CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2o1.CN(C)c1nc2ccc(N3CCc4c(n(C)c5ccc(F)cc45)C3)cc2o1.CN1CCN(c2ccc(N3CCc4c([nH]c5cc(F)ccc45)C3)cc2F)CC1.COc1ccc2c(c1)c1c(n2C)CN(c2ccc3sc(N4CCOCC4)nc3c2)CC1.Fc1cc(N2CCc3c([nH]c4ccccc34)C2)ccc1N1CCOCC1.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CC4CCC(C2)O4)c(F)c1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cc1)CC3
• InChI: InChI=1S/C24H26N4O2S.C23H23F2N3O.C22H24F2N4.2C21H21FN4O.C21H22FN3O.C21H23N3O/c1-26-21-5-4-17(29-2)14-19(21)18-7-8-28(15-22(18)26)16-3-6-23-20(13-16)25-24(31-23)27-9-11-30-12-10-27;24-14-1-5-18-19-7-8-27(13-22(19)26-21(18)9-14)15-2-6-23(20(25)10-15)28-11-16-3-4-17(12-28)29-16;1-26-8-10-27(11-9-26)22-5-3-16(13-19(22)24)28-7-6-18-17-4-2-15(23)12-20(17)25-21(18)14-28;1-24(2)21-23-17-6-5-14(11-20(17)27-21)26-9-8-15-16-10-13(22)4-7-18(16)25(3)19(15)12-26;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;22-18-13-15(5-6-21(18)24-9-11-26-12-10-24)25-8-7-17-16-3-1-2-4-19(16)23-20(17)14-25;1-2-4-20-18(3-1)19-9-10-24(15-21(19)22-20)17-7-5-16(6-8-17)23-11-13-25-14-12-23/h3-6,13-14H,7-12,15H2,1-2H3;1-2,5-6,9-10,16-17,26H,3-4,7-8,11-13H2;2-5,12-13,25H,6-11,14H2,1H3;2*4-7,10-11H,8-9,12H2,1-3H3;1-6,13,23H,7-12,14H2;1-8,22H,9-15H2
• InChIKey: ASLDPCLHZSHACF-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 237.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2626.18
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine?

The IUPAC name of 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine (CID 157216195) is 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine.

What is the SMILES notation for 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine?

The canonical SMILES for 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine is CN(C)c1nc2cc(N3CCc4c(n(C)c5ccc(F)cc45)C3)ccc2o1.CN(C)c1nc2ccc(N3CCc4c(n(C)c5ccc(F)cc45)C3)cc2o1.CN1CCN(c2ccc(N3CCc4c([nH]c5cc(F)ccc45)C3)cc2F)CC1.COc1ccc2c(c1)c1c(n2C)CN(c2ccc3sc(N4CCOCC4)nc3c2)CC1.Fc1cc(N2CCc3c([nH]c4ccccc34)C2)ccc1N1CCOCC1.Fc1ccc2c3c([nH]c2c1)CN(c1ccc(N2CC4CCC(C2)O4)c(F)c1)CC3.c1ccc2c3c([nH]c2c1)CN(c1ccc(N2CCOCC2)cc1)CC3.

What is the InChIKey of 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine?

The InChIKey is ASLDPCLHZSHACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.C23H23F2N3O.C22H24F2N4.2C21H21FN4O.C21H22FN3O.C21H23N3O/c1-26-21-5-4-17(29-2)14-19(21)18-7-8-28(15-22(18)26)16-3-6-23-20(13-16)25-24(31-23)27-9-11-30-12-10-27;24-14-1-5-18-19-7-8-27(13-22(19)26-21(18)9-14)15-2-6-23(20(25)10-15)28-11-16-3-4-17(12-28)29-16;1-26-8-10-27(11-9-26)22-5-3-16(13-19(22)24)28-7-6-18-17-4-2-15(23)12-20(17)25-21(18)14-28;1-24(2)21-23-17-6-5-14(11-20(17)27-21)26-9-8-15-16-10-13(22)4-7-18(16)25(3)19(15)12-26;1-24(2)21-23-17-11-14(5-7-20(17)27-21)26-9-8-15-16-10-13(22)4-6-18(16)25(3)19(15)12-26;22-18-13-15(5-6-21(18)24-9-11-26-12-10-24)25-8-7-17-16-3-1-2-4-19(16)23-20(17)14-25;1-2-4-20-18(3-1)19-9-10-24(15-21(19)22-20)17-7-5-16(6-8-17)23-11-13-25-14-12-23/h3-6,13-14H,7-12,15H2,1-2H3;1-2,5-6,9-10,16-17,26H,3-4,7-8,11-13H2;2-5,12-13,25H,6-11,14H2,1H3;2*4-7,10-11H,8-9,12H2,1-3H3;1-6,13,23H,7-12,14H2;1-8,22H,9-15H2.

What are the key properties of 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine?

7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine has a molecular weight of 2626.18 g/mol, XLogP of 27.78, 15 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[2-fluoro-4-(7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]-8-oxa-3-azabicyclo[3.2.1]octane;5-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-N,N-dimethyl-1,3-benzoxazol-2-amine;4-[2-fluoro-4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(6-methoxy-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[4-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine is sourced from PubChem (CID 157216195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).