bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine

C125H125F6N23O5S4 — CID 159050330

About bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine

bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine (PubChem CID 159050330) has the molecular formula C125H125F6N23O5S4 and a molecular weight of 2271.79 g/mol. Its IUPAC name is bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine
• PubChem CID: 159050330
• Molecular Formula: C125H125F6N23O5S4
• Molecular Weight: 2271.79 g/mol
• Exact Mass: 2269.90
• IUPAC Name: bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine
• SMILES: CC(C)Nc1nc2cc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4oc5ccc(F)cc5c4C3)cc2s1.CN(C)c1nc2ccc(N3CCc4oc5ccc(F)cc5c4C3)cc2s1.Cn1c2c(c3cc(F)ccc31)CN(c1ccc(N3CCOCC3)nc1)CC2.Cn1c2c(c3cc(F)cnc31)CN(c1ccc3sc(N4CCOCC4)nc3c1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc(N2CCOCC2)nc1)CC3
• InChI: InChI=1S/C22H22FN5OS.C22H23FN4S.C21H23FN4O.C20H21FN4O.2C20H18FN3OS/c1-26-19-4-5-28(13-17(19)16-10-14(23)12-24-21(16)26)15-2-3-20-18(11-15)25-22(30-20)27-6-8-29-9-7-27;1-13(2)24-22-25-18-11-15(5-7-21(18)28-22)27-9-8-20-17(12-27)16-10-14(23)4-6-19(16)26(20)3;1-24-19-4-2-15(22)12-17(19)18-14-26(7-6-20(18)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;21-14-1-3-18-16(11-14)17-13-25(6-5-19(17)23-18)15-2-4-20(22-12-15)24-7-9-26-10-8-24;2*1-23(2)20-22-16-5-4-13(10-19(16)26-20)24-8-7-18-15(11-24)14-9-12(21)3-6-17(14)25-18/h2-3,10-12H,4-9,13H2,1H3;4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,25);2-5,12-13H,6-11,14H2,1H3;1-4,11-12,23H,5-10,13H2;2*3-6,9-10H,7-8,11H2,1-2H3
• InChIKey: JXEKBAQUFUJZFJ-UHFFFAOYSA-N
• XLogP: 24.87
• TPSA: 222.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 13
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.79
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?

The IUPAC name of bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine (CID 159050330) is bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine.

What is the SMILES notation for bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?

The canonical SMILES for bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine is CC(C)Nc1nc2cc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2s1.CN(C)c1nc2ccc(N3CCc4oc5ccc(F)cc5c4C3)cc2s1.CN(C)c1nc2ccc(N3CCc4oc5ccc(F)cc5c4C3)cc2s1.Cn1c2c(c3cc(F)ccc31)CN(c1ccc(N3CCOCC3)nc1)CC2.Cn1c2c(c3cc(F)cnc31)CN(c1ccc3sc(N4CCOCC4)nc3c1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc(N2CCOCC2)nc1)CC3.

What is the InChIKey of bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?

The InChIKey is JXEKBAQUFUJZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS.C22H23FN4S.C21H23FN4O.C20H21FN4O.2C20H18FN3OS/c1-26-19-4-5-28(13-17(19)16-10-14(23)12-24-21(16)26)15-2-3-20-18(11-15)25-22(30-20)27-6-8-29-9-7-27;1-13(2)24-22-25-18-11-15(5-7-21(18)28-22)27-9-8-20-17(12-27)16-10-14(23)4-6-19(16)26(20)3;1-24-19-4-2-15(22)12-17(19)18-14-26(7-6-20(18)24)16-3-5-21(23-13-16)25-8-10-27-11-9-25;21-14-1-3-18-16(11-14)17-13-25(6-5-19(17)23-18)15-2-4-20(22-12-15)24-7-9-26-10-8-24;2*1-23(2)20-22-16-5-4-13(10-19(16)26-20)24-8-7-18-15(11-24)14-9-12(21)3-6-17(14)25-18/h2-3,10-12H,4-9,13H2,1H3;4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,25);2-5,12-13H,6-11,14H2,1H3;1-4,11-12,23H,5-10,13H2;2*3-6,9-10H,7-8,11H2,1-2H3.

What are the key properties of bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine?

bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine has a molecular weight of 2271.79 g/mol, XLogP of 24.87, 13 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine);5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-N-propan-2-yl-1,3-benzothiazol-2-amine;4-[5-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine;4-[5-(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-[5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 159050330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).