[1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate

C34H47Cl2N5O9 — CID 177055833

About [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate

[1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate (PubChem CID 177055833) has the molecular formula C34H47Cl2N5O9 and a molecular weight of 740.68 g/mol. Its IUPAC name is [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate.

Molecular Properties

• Compound Name: [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate
• PubChem CID: 177055833
• Molecular Formula: C34H47Cl2N5O9
• Molecular Weight: 740.68 g/mol
• Exact Mass: 739.28
• IUPAC Name: [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate
• SMILES: CC(=O)OC(C)C(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4cnn(CCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c4)c3c2C1
• InChI: InChI=1S/C34H47Cl2N5O9/c1-22(49-23(2)42)32(43)40-8-6-28-26(21-40)29-25(18-27(35)30(36)31(29)39-28)24-19-38-41(20-24)9-11-46-13-15-48-17-16-47-14-12-45-10-7-37-33(44)50-34(3,4)5/h18-20,22,39H,6-17,21H2,1-5H3,(H,37,44)
• InChIKey: NTGAWSUMNUBFHQ-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 155.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.68
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate?

The IUPAC name of [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate (CID 177055833) is [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate.

What is the SMILES notation for [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate?

The canonical SMILES for [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate is CC(=O)OC(C)C(=O)N1CCc2[nH]c3c(Cl)c(Cl)cc(-c4cnn(CCOCCOCCOCCOCCNC(=O)OC(C)(C)C)c4)c3c2C1.

What is the InChIKey of [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate?

The InChIKey is NTGAWSUMNUBFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47Cl2N5O9/c1-22(49-23(2)42)32(43)40-8-6-28-26(21-40)29-25(18-27(35)30(36)31(29)39-28)24-19-38-41(20-24)9-11-46-13-15-48-17-16-47-14-12-45-10-7-37-33(44)50-34(3,4)5/h18-20,22,39H,6-17,21H2,1-5H3,(H,37,44).

What are the key properties of [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate?

[1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate has a molecular weight of 740.68 g/mol, XLogP of 4.77, 18 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6,7-dichloro-9-[1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrazol-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 177055833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).