N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine

C156H159F7N26O7S4 — CID 158905879

About N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine

N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine (PubChem CID 158905879) has the molecular formula C156H159F7N26O7S4 and a molecular weight of 2771.42 g/mol. Its IUPAC name is N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine.

Molecular Properties

• Compound Name: N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine
• PubChem CID: 158905879
• Molecular Formula: C156H159F7N26O7S4
• Molecular Weight: 2771.42 g/mol
• Exact Mass: 2769.17
• IUPAC Name: N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine
• SMILES: CN(C)c1nc2ccc(N3CCc4c(n(C)c5ccccc45)C3)cc2s1.Cn1c2c(c3cc(F)ccc31)CCN(c1ccc(N3CCOCC3)c(F)c1)C2.Cn1c2c(c3cc(F)ccc31)CCN(c1ccc3nc(N4CCOCC4)oc3c1)C2.Cn1c2c(c3ccc(F)cc31)CCN(c1ccc3nc(N4CCOCC4)sc3c1)C2.Cn1c2c(c3ccc(F)cc31)CCN(c1ccc3sc(N4CCOCC4)nc3c1)C2.Cn1c2c(c3ccccc31)CCN(c1ccc3nc(N4CCOCC4)sc3c1)C2.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)c(F)c1)C3
• InChI: InChI=1S/C23H23FN4O2.2C23H23FN4OS.C23H24N4OS.C22H23F2N3O.C21H21F2N3O.C21H22N4S/c1-26-20-5-2-15(24)12-18(20)17-6-7-28(14-21(17)26)16-3-4-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-26-20-12-15(24)2-4-17(20)18-6-7-28(14-21(18)26)16-3-5-22-19(13-16)25-23(30-22)27-8-10-29-11-9-27;1-26-20-12-15(24)2-4-17(20)18-6-7-28(14-21(18)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-25-20-5-3-2-4-17(20)18-8-9-27(15-21(18)25)16-6-7-19-22(14-16)29-23(24-19)26-10-12-28-13-11-26;1-25-20-4-2-15(23)12-18(20)17-6-7-27(14-22(17)25)16-3-5-21(19(24)13-16)26-8-10-28-11-9-26;22-14-1-3-19-17(11-14)16-5-6-26(13-20(16)24-19)15-2-4-21(18(23)12-15)25-7-9-27-10-8-25;1-23(2)21-22-17-9-8-14(12-20(17)26-21)25-11-10-16-15-6-4-5-7-18(15)24(3)19(16)13-25/h3*2-5,12-13H,6-11,14H2,1H3;2-7,14H,8-13,15H2,1H3;2-5,12-13H,6-11,14H2,1H3;1-4,11-12,24H,5-10,13H2;4-9,12H,10-11,13H2,1-3H3
• InChIKey: JGAOVSMKAAKMPI-UHFFFAOYSA-N
• XLogP: 28.82
• TPSA: 223.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 14
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2771.42
LogP ≤ 5	28.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

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 N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine?

The IUPAC name of N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine (CID 158905879) is N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine.

What is the SMILES notation for N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine?

The canonical SMILES for N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine is CN(C)c1nc2ccc(N3CCc4c(n(C)c5ccccc45)C3)cc2s1.Cn1c2c(c3cc(F)ccc31)CCN(c1ccc(N3CCOCC3)c(F)c1)C2.Cn1c2c(c3cc(F)ccc31)CCN(c1ccc3nc(N4CCOCC4)oc3c1)C2.Cn1c2c(c3ccc(F)cc31)CCN(c1ccc3nc(N4CCOCC4)sc3c1)C2.Cn1c2c(c3ccc(F)cc31)CCN(c1ccc3sc(N4CCOCC4)nc3c1)C2.Cn1c2c(c3ccccc31)CCN(c1ccc3nc(N4CCOCC4)sc3c1)C2.Fc1ccc2[nH]c3c(c2c1)CCN(c1ccc(N2CCOCC2)c(F)c1)C3.

What is the InChIKey of N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine?

The InChIKey is JGAOVSMKAAKMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2.2C23H23FN4OS.C23H24N4OS.C22H23F2N3O.C21H21F2N3O.C21H22N4S/c1-26-20-5-2-15(24)12-18(20)17-6-7-28(14-21(17)26)16-3-4-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-26-20-12-15(24)2-4-17(20)18-6-7-28(14-21(18)26)16-3-5-22-19(13-16)25-23(30-22)27-8-10-29-11-9-27;1-26-20-12-15(24)2-4-17(20)18-6-7-28(14-21(18)26)16-3-5-19-22(13-16)30-23(25-19)27-8-10-29-11-9-27;1-25-20-5-3-2-4-17(20)18-8-9-27(15-21(18)25)16-6-7-19-22(14-16)29-23(24-19)26-10-12-28-13-11-26;1-25-20-4-2-15(23)12-18(20)17-6-7-27(14-22(17)25)16-3-5-21(19(24)13-16)26-8-10-28-11-9-26;22-14-1-3-19-17(11-14)16-5-6-26(13-20(16)24-19)15-2-4-21(18(23)12-15)25-7-9-27-10-8-25;1-23(2)21-22-17-9-8-14(12-20(17)26-21)25-11-10-16-15-6-4-5-7-18(15)24(3)19(16)13-25/h3*2-5,12-13H,6-11,14H2,1H3;2-7,14H,8-13,15H2,1H3;2-5,12-13H,6-11,14H2,1H3;1-4,11-12,24H,5-10,13H2;4-9,12H,10-11,13H2,1-3H3.

What are the key properties of N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine?

N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine has a molecular weight of 2771.42 g/mol, XLogP of 28.82, 14 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-amine;4-[2-fluoro-4-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[2-fluoro-4-(6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)phenyl]morpholine;4-[5-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;4-[6-(7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine;6-(6-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;4-[6-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)-1,3-benzothiazol-2-yl]morpholine is sourced from PubChem (CID 158905879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).