8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine

C120H120F6N22O6S2 — CID 160990281

About 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine

8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine (PubChem CID 160990281) has the molecular formula C120H120F6N22O6S2 and a molecular weight of 2144.55 g/mol. Its IUPAC name is 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
• PubChem CID: 160990281
• Molecular Formula: C120H120F6N22O6S2
• Molecular Weight: 2144.55 g/mol
• Exact Mass: 2142.91
• IUPAC Name: 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine
• SMILES: COc1cc(N2CCc3c(c4cc(F)ccc4n3C)C2)ccn1.COc1cncc(N2CCc3c(c4cc(F)ccc4n3C)C2)c1.Fc1ccc2c3c([nH]c2c1)CCN(c1nc2cc(N4CCOCC4)ccc2s1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1nc2ccc(N4CCOCC4)cc2s1)C3.Fc1cccc2[nH]c3c(c12)CN(c1ccc(N2CCOCC2)cn1)CC3.Fc1cccc2[nH]c3c(c12)CN(c1ccc(N2CCOCC2)nc1)CC3
• InChI: InChI=1S/2C22H21FN4OS.2C20H21FN4O.2C18H18FN3O/c23-14-1-3-16-17-13-27(6-5-18(17)24-19(16)11-14)22-25-20-12-15(2-4-21(20)29-22)26-7-9-28-10-8-26;23-14-1-3-16-17-13-27(6-5-18(17)24-20(16)11-14)22-25-19-4-2-15(12-21(19)29-22)26-7-9-28-10-8-26;21-16-2-1-3-18-20(16)15-13-25(7-6-17(15)23-18)14-4-5-19(22-12-14)24-8-10-26-11-9-24;21-16-2-1-3-18-20(16)15-13-25(7-6-17(15)23-18)19-5-4-14(12-22-19)24-8-10-26-11-9-24;1-21-16-4-3-12(19)9-14(16)15-11-22(8-6-17(15)21)13-5-7-20-18(10-13)23-2;1-21-17-4-3-12(19)7-15(17)16-11-22(6-5-18(16)21)13-8-14(23-2)10-20-9-13/h2*1-4,11-12,24H,5-10,13H2;2*1-5,12,23H,6-11,13H2;3-5,7,9-10H,6,8,11H2,1-2H3;3-4,7-10H,5-6,11H2,1-2H3
• InChIKey: TUNLSDVPYGGAEZ-UHFFFAOYSA-N
• XLogP: 21.40
• TPSA: 238.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.55
LogP ≤ 5	21.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine?

The IUPAC name of 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine (CID 160990281) is 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine.

What is the SMILES notation for 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine?

The canonical SMILES for 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine is COc1cc(N2CCc3c(c4cc(F)ccc4n3C)C2)ccn1.COc1cncc(N2CCc3c(c4cc(F)ccc4n3C)C2)c1.Fc1ccc2c3c([nH]c2c1)CCN(c1nc2cc(N4CCOCC4)ccc2s1)C3.Fc1ccc2c3c([nH]c2c1)CCN(c1nc2ccc(N4CCOCC4)cc2s1)C3.Fc1cccc2[nH]c3c(c12)CN(c1ccc(N2CCOCC2)cn1)CC3.Fc1cccc2[nH]c3c(c12)CN(c1ccc(N2CCOCC2)nc1)CC3.

What is the InChIKey of 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine?

The InChIKey is TUNLSDVPYGGAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21FN4OS.2C20H21FN4O.2C18H18FN3O/c23-14-1-3-16-17-13-27(6-5-18(17)24-19(16)11-14)22-25-20-12-15(2-4-21(20)29-22)26-7-9-28-10-8-26;23-14-1-3-16-17-13-27(6-5-18(17)24-20(16)11-14)22-25-19-4-2-15(12-21(19)29-22)26-7-9-28-10-8-26;21-16-2-1-3-18-20(16)15-13-25(7-6-17(15)23-18)14-4-5-19(22-12-14)24-8-10-26-11-9-24;21-16-2-1-3-18-20(16)15-13-25(7-6-17(15)23-18)19-5-4-14(12-22-19)24-8-10-26-11-9-24;1-21-16-4-3-12(19)9-14(16)15-11-22(8-6-17(15)21)13-5-7-20-18(10-13)23-2;1-21-17-4-3-12(19)7-15(17)16-11-22(6-5-18(16)21)13-8-14(23-2)10-20-9-13/h2*1-4,11-12,24H,5-10,13H2;2*1-5,12,23H,6-11,13H2;3-5,7,9-10H,6,8,11H2,1-2H3;3-4,7-10H,5-6,11H2,1-2H3.

What are the key properties of 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine?

8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine has a molecular weight of 2144.55 g/mol, XLogP of 21.40, 12 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2-(2-methoxy-4-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;8-fluoro-2-(5-methoxy-3-pyridinyl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-5-yl]morpholine;4-[2-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1,3-benzothiazol-6-yl]morpholine;4-[5-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[6-(9-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine is sourced from PubChem (CID 160990281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).