6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine

C101H102F5N21O5S2 — CID 160925316

About 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine

6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine (PubChem CID 160925316) has the molecular formula C101H102F5N21O5S2 and a molecular weight of 1849.19 g/mol. Its IUPAC name is 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine.

Molecular Properties

• Compound Name: 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine
• PubChem CID: 160925316
• Molecular Formula: C101H102F5N21O5S2
• Molecular Weight: 1849.19 g/mol
• Exact Mass: 1847.77
• IUPAC Name: 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine
• SMILES: CN(C)c1nc2ccc(N3CCc4oc5ccc(F)cc5c4C3)cc2s1.Cn1c2c(c3cc(F)ccc31)CN(c1ccc(N3CCOCC3)cn1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1cc2sc(N4CCOCC4)nc2cn1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc(N2CCOCC2)cn1)CC3.Fc1ccc2c3c([nH]c2c1)CCN(c1cnc(N2CCOCC2)cn1)C3
• InChI: InChI=1S/C21H20FN5OS.C21H23FN4O.C20H21FN4O.C20H18FN3OS.C19H20FN5O/c22-13-1-2-16-14(9-13)15-12-27(4-3-17(15)24-16)20-10-19-18(11-23-20)25-21(29-19)26-5-7-28-8-6-26;1-24-19-4-2-15(22)12-17(19)18-14-26(7-6-20(18)24)21-5-3-16(13-23-21)25-8-10-27-11-9-25;21-14-1-3-18-16(11-14)17-13-25(6-5-19(17)23-18)20-4-2-15(12-22-20)24-7-9-26-10-8-24;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;20-13-1-2-14-15-12-25(4-3-16(15)23-17(14)9-13)19-11-21-18(10-22-19)24-5-7-26-8-6-24/h1-2,9-11,24H,3-8,12H2;2-5,12-13H,6-11,14H2,1H3;1-4,11-12,23H,5-10,13H2;3-6,9-10H,7-8,11H2,1-2H3;1-2,9-11,23H,3-8,12H2
• InChIKey: SSOFVUKIOHDANF-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 224.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1849.19
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine?

The IUPAC name of 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine (CID 160925316) is 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine.

What is the SMILES notation for 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine?

The canonical SMILES for 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine is CN(C)c1nc2ccc(N3CCc4oc5ccc(F)cc5c4C3)cc2s1.Cn1c2c(c3cc(F)ccc31)CN(c1ccc(N3CCOCC3)cn1)CC2.Fc1ccc2[nH]c3c(c2c1)CN(c1cc2sc(N4CCOCC4)nc2cn1)CC3.Fc1ccc2[nH]c3c(c2c1)CN(c1ccc(N2CCOCC2)cn1)CC3.Fc1ccc2c3c([nH]c2c1)CCN(c1cnc(N2CCOCC2)cn1)C3.

What is the InChIKey of 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine?

The InChIKey is SSOFVUKIOHDANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS.C21H23FN4O.C20H21FN4O.C20H18FN3OS.C19H20FN5O/c22-13-1-2-16-14(9-13)15-12-27(4-3-17(15)24-16)20-10-19-18(11-23-20)25-21(29-19)26-5-7-28-8-6-26;1-24-19-4-2-15(22)12-17(19)18-14-26(7-6-20(18)24)21-5-3-16(13-23-21)25-8-10-27-11-9-25;21-14-1-3-18-16(11-14)17-13-25(6-5-19(17)23-18)20-4-2-15(12-22-20)24-7-9-26-10-8-24;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;20-13-1-2-14-15-12-25(4-3-16(15)23-17(14)9-13)19-11-21-18(10-22-19)24-5-7-26-8-6-24/h1-2,9-11,24H,3-8,12H2;2-5,12-13H,6-11,14H2,1H3;1-4,11-12,23H,5-10,13H2;3-6,9-10H,7-8,11H2,1-2H3;1-2,9-11,23H,3-8,12H2.

What are the key properties of 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine?

6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine has a molecular weight of 1849.19 g/mol, XLogP of 17.23, 10 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(8-fluoro-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-2-yl)-N,N-dimethyl-1,3-benzothiazol-2-amine;4-[6-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrazin-2-yl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-pyridinyl]morpholine;4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]morpholine is sourced from PubChem (CID 160925316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).