tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate

C32H35N3O7 — CID 66779886

About tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate

tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate (PubChem CID 66779886) has the molecular formula C32H35N3O7 and a molecular weight of 573.65 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate
• PubChem CID: 66779886
• Molecular Formula: C32H35N3O7
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.25
• IUPAC Name: tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate
• SMILES: COc1cc(-c2cc3nccc(-c4cccc(C(=O)N5CCC(NC(=O)OC(C)(C)C)C5)c4)c3o2)cc(OC)c1OC
• InChI: InChI=1S/C32H35N3O7/c1-32(2,3)42-31(37)34-22-11-13-35(18-22)30(36)20-9-7-8-19(14-20)23-10-12-33-24-17-25(41-28(23)24)21-15-26(38-4)29(40-6)27(16-21)39-5/h7-10,12,14-17,22H,11,13,18H2,1-6H3,(H,34,37)
• InChIKey: BIHRGZYYZQVPLI-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 112.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate (CID 66779886) is tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate is COc1cc(-c2cc3nccc(-c4cccc(C(=O)N5CCC(NC(=O)OC(C)(C)C)C5)c4)c3o2)cc(OC)c1OC.

What is the InChIKey of tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate?

The InChIKey is BIHRGZYYZQVPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O7/c1-32(2,3)42-31(37)34-22-11-13-35(18-22)30(36)20-9-7-8-19(14-20)23-10-12-33-24-17-25(41-28(23)24)21-15-26(38-4)29(40-6)27(16-21)39-5/h7-10,12,14-17,22H,11,13,18H2,1-6H3,(H,34,37).

What are the key properties of tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate?

tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate has a molecular weight of 573.65 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 66779886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).