4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C₅₀H₄₄N₁₀O₄ — CID 131974123

About 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 131974123) has the molecular formula C₅₀H₄₄N₁₀O₄ and a molecular weight of 848.97 g/mol. Its IUPAC name is 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 131974123
• Molecular Formula: C₅₀H₄₄N₁₀O₄
• Molecular Weight: 848.97 g/mol
• Exact Mass: 848.35
• IUPAC Name: 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(Cn4c5cc(-c6c(C)noc6C)c(OC)cc5c5c(-c6c(-c7ccccc7)n[nH]c6C)nccc54)c3C)c12
• InChI: InChI=1S/C50H44N10O4/c1-24-45(48(55-54-24)31-13-11-10-12-14-31)50-47-33-22-41(62-9)35(44-27(4)58-64-30(44)7)20-39(33)59(38(47)16-18-52-50)23-60-28(5)42(25(2)56-60)49-46-32-21-40(61-8)34(43-26(3)57-63-29(43)6)19-37(32)53-36(46)15-17-51-49/h10-22,53H,23H2,1-9H3,(H,54,55)
• InChIKey: KPMXBVPKXSLOIO-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 163.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.97
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 131974123) is 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(Cn4c5cc(-c6c(C)noc6C)c(OC)cc5c5c(-c6c(-c7ccccc7)n[nH]c6C)nccc54)c3C)c12.

What is the InChIKey of 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is KPMXBVPKXSLOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N10O4/c1-24-45(48(55-54-24)31-13-11-10-12-14-31)50-47-33-22-41(62-9)35(44-27(4)58-64-30(44)7)20-39(33)59(38(47)16-18-52-50)23-60-28(5)42(25(2)56-60)49-46-32-21-40(61-8)34(43-26(3)57-63-29(43)6)19-37(32)53-36(46)15-17-51-49/h10-22,53H,23H2,1-9H3,(H,54,55).

What are the key properties of 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 848.97 g/mol, XLogP of 11.13, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[1-[[7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrido[4,3-b]indol-5-yl]methyl]-3,5-dimethylpyrazol-4-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 131974123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 131974123 — identifiers, structure, computed properties (public domain)

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