Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate

C₂₉H₂₄N₂O₄ — CID 171788735

About Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate

Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate (PubChem CID 171788735) has the molecular formula C₂₉H₂₄N₂O₄ and a molecular weight of 464.52 g/mol. Its IUPAC name is methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate.

Molecular Properties

• Compound Name: Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate
• PubChem CID: 171788735
• Molecular Formula: C₂₉H₂₄N₂O₄
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.17
• IUPAC Name: methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate
• SMILES: COC(=O)c1cc2cc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)ccc2[nH]1
• InChI: InChI=1S/C29H24N2O4/c1-33-29(32)26-17-23-16-22(12-14-25(23)30-26)24-13-15-27(34-18-20-8-4-2-5-9-20)31-28(24)35-19-21-10-6-3-7-11-21/h2-17,30H,18-19H2,1H3
• InChIKey: DERKQOAYKNZZCS-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 73.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate?

The IUPAC name of Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate (CID 171788735) is methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate.

What is the SMILES notation for Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate?

The canonical SMILES for Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate is COC(=O)c1cc2cc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)ccc2[nH]1.

What is the InChIKey of Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate?

The InChIKey is DERKQOAYKNZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O4/c1-33-29(32)26-17-23-16-22(12-14-25(23)30-26)24-13-15-27(34-18-20-8-4-2-5-9-20)31-28(24)35-19-21-10-6-3-7-11-21/h2-17,30H,18-19H2,1H3.

What are the key properties of Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate?

Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate has a molecular weight of 464.52 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 171788735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171788735 — identifiers, structure, computed properties (public domain)

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