4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole

C45H44ClN7O5 — CID 131974165

About 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole

4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole (PubChem CID 131974165) has the molecular formula C45H44ClN7O5 and a molecular weight of 798.34 g/mol. Its IUPAC name is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole
• PubChem CID: 131974165
• Molecular Formula: C45H44ClN7O5
• Molecular Weight: 798.34 g/mol
• Exact Mass: 797.31
• IUPAC Name: 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole
• SMILES: CCc1noc(CCCCc2noc(CC)c2-c2cc3[nH]c4ccnc(Cl)c4c3cc2OC)c1-c1cc2[nH]c3ccnc(-c4c(CC)noc4CC)c3c2cc1OC
• InChI: InChI=1S/C45H44ClN7O5/c1-7-27-39(25-19-32-23(21-37(25)54-5)41-29(49-32)15-17-47-44(41)43-28(8-2)52-57-35(43)10-4)36(58-51-27)14-12-11-13-31-40(34(9-3)56-53-31)26-20-33-24(22-38(26)55-6)42-30(50-33)16-18-48-45(42)46/h15-22,49-50H,7-14H2,1-6H3
• InChIKey: DSRZVIHZGFTYAG-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 153.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.34
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole?

The IUPAC name of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole (CID 131974165) is 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole.

What is the SMILES notation for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole?

The canonical SMILES for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole is CCc1noc(CCCCc2noc(CC)c2-c2cc3[nH]c4ccnc(Cl)c4c3cc2OC)c1-c1cc2[nH]c3ccnc(-c4c(CC)noc4CC)c3c2cc1OC.

What is the InChIKey of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole?

The InChIKey is DSRZVIHZGFTYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44ClN7O5/c1-7-27-39(25-19-32-23(21-37(25)54-5)41-29(49-32)15-17-47-44(41)43-28(8-2)52-57-35(43)10-4)36(58-51-27)14-12-11-13-31-40(34(9-3)56-53-31)26-20-33-24(22-38(26)55-6)42-30(50-33)16-18-48-45(42)46/h15-22,49-50H,7-14H2,1-6H3.

What are the key properties of 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole?

4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole has a molecular weight of 798.34 g/mol, XLogP of 11.20, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-chloro-8-methoxy-5H-pyrido[4,3-b]indol-7-yl)-3-[4-[4-[1-(3,5-diethyl-1,2-oxazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3-ethyl-1,2-oxazol-5-yl]butyl]-5-ethyl-1,2-oxazole is sourced from PubChem (CID 131974165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).