5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole

C85H86F4N16O6 — CID 157071587

About 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole

5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole (PubChem CID 157071587) has the molecular formula C85H86F4N16O6 and a molecular weight of 1503.72 g/mol. Its IUPAC name is 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
• PubChem CID: 157071587
• Molecular Formula: C85H86F4N16O6
• Molecular Weight: 1503.72 g/mol
• Exact Mass: 1502.69
• IUPAC Name: 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole
• SMILES: CCn1c2c(c3ccc(F)cc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.CN1CCN(c2nc3cc(N4CCc5[nH]c6cc(F)ccc6c5C4)ccc3o2)CC1.COCCNc1nc2cc(N3CCc4[nH]c5cc(F)ccc5c4C3)ccc2o1.COc1cc(N2CCc3[nH]c4cc(F)ccc4c3C2)ccn1
• InChI: InChI=1S/C24H25FN4O2.C23H24FN5O.C21H21FN4O2.C17H16FN3O/c1-2-29-21-7-8-28(15-19(21)18-5-3-16(25)13-22(18)29)17-4-6-23-20(14-17)26-24(31-23)27-9-11-30-12-10-27;1-27-8-10-28(11-9-27)23-26-21-13-16(3-5-22(21)30-23)29-7-6-19-18(14-29)17-4-2-15(24)12-20(17)25-19;1-27-9-7-23-21-25-19-11-14(3-5-20(19)28-21)26-8-6-17-16(12-26)15-4-2-13(22)10-18(15)24-17;1-22-17-9-12(4-6-19-17)21-7-5-15-14(10-21)13-3-2-11(18)8-16(13)20-15/h3-6,13-14H,2,7-12,15H2,1H3;2-5,12-13,25H,6-11,14H2,1H3;2-5,10-11,24H,6-9,12H2,1H3,(H,23,25);2-4,6,8-9,20H,5,7,10H2,1H3
• InChIKey: ACMOALUGVOTXCJ-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 205.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.72
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?

The IUPAC name of 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole (CID 157071587) is 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole.

What is the SMILES notation for 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?

The canonical SMILES for 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole is CCn1c2c(c3ccc(F)cc31)CN(c1ccc3oc(N4CCOCC4)nc3c1)CC2.CN1CCN(c2nc3cc(N4CCc5[nH]c6cc(F)ccc6c5C4)ccc3o2)CC1.COCCNc1nc2cc(N3CCc4[nH]c5cc(F)ccc5c4C3)ccc2o1.COc1cc(N2CCc3[nH]c4cc(F)ccc4c3C2)ccn1.

What is the InChIKey of 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?

The InChIKey is ACMOALUGVOTXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2.C23H24FN5O.C21H21FN4O2.C17H16FN3O/c1-2-29-21-7-8-28(15-19(21)18-5-3-16(25)13-22(18)29)17-4-6-23-20(14-17)26-24(31-23)27-9-11-30-12-10-27;1-27-8-10-28(11-9-27)23-26-21-13-16(3-5-22(21)30-23)29-7-6-19-18(14-29)17-4-2-15(24)12-20(17)25-19;1-27-9-7-23-21-25-19-11-14(3-5-20(19)28-21)26-8-6-17-16(12-26)15-4-2-13(22)10-18(15)24-17;1-22-17-9-12(4-6-19-17)21-7-5-15-14(10-21)13-3-2-11(18)8-16(13)20-15/h3-6,13-14H,2,7-12,15H2,1H3;2-5,12-13,25H,6-11,14H2,1H3;2-5,10-11,24H,6-9,12H2,1H3,(H,23,25);2-4,6,8-9,20H,5,7,10H2,1H3.

What are the key properties of 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole?

5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole has a molecular weight of 1503.72 g/mol, XLogP of 15.45, 12 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-ethyl-7-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-morpholin-4-yl-1,3-benzoxazole;7-fluoro-2-(2-methoxy-4-pyridinyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine;5-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-benzoxazole is sourced from PubChem (CID 157071587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).