ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate

C27H35N3O4 — CID 101411468

About ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate

ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate (PubChem CID 101411468) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
• PubChem CID: 101411468
• Molecular Formula: C27H35N3O4
• Molecular Weight: 465.59 g/mol
• Exact Mass: 465.26
• IUPAC Name: ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate
• SMILES: CCOC(=O)c1[nH]c(-c2cccc(-c3[nH]c(C(=O)OCC)c(CC)c3CC)n2)c(CC)c1CC
• InChI: InChI=1S/C27H35N3O4/c1-7-16-18(9-3)24(26(31)33-11-5)29-22(16)20-14-13-15-21(28-20)23-17(8-2)19(10-4)25(30-23)27(32)34-12-6/h13-15,29-30H,7-12H2,1-6H3
• InChIKey: ONVRGLRDNCHAFN-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 97.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.59
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

The IUPAC name of ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate (CID 101411468) is ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate.

What is the SMILES notation for ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

The canonical SMILES for ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2cccc(-c3[nH]c(C(=O)OCC)c(CC)c3CC)n2)c(CC)c1CC.

What is the InChIKey of ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

The InChIKey is ONVRGLRDNCHAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-7-16-18(9-3)24(26(31)33-11-5)29-22(16)20-14-13-15-21(28-20)23-17(8-2)19(10-4)25(30-23)27(32)34-12-6/h13-15,29-30H,7-12H2,1-6H3.

What are the key properties of ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate?

ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate has a molecular weight of 465.59 g/mol, XLogP of 5.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[6-(5-ethoxycarbonyl-3,4-diethyl-1H-pyrrol-2-yl)-2-pyridinyl]-3,4-diethyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 101411468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).