ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate

C44H47N5O6 — CID 144980031

About ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate

ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate (PubChem CID 144980031) has the molecular formula C44H47N5O6 and a molecular weight of 741.89 g/mol. Its IUPAC name is ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate
• PubChem CID: 144980031
• Molecular Formula: C44H47N5O6
• Molecular Weight: 741.89 g/mol
• Exact Mass: 741.35
• IUPAC Name: ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate
• SMILES: CCOC(=O)c1cc2ccccn2c1-c1cccc(C2CC(c3ccn4c(-c5ccc(OCCN6CCOCC6)cn5)c(C(=O)OCC)cc4c3)CN2C)c1
• InChI: InChI=1S/C44H47N5O6/c1-4-53-43(50)37-26-34-11-6-7-15-48(34)41(37)32-10-8-9-31(23-32)40-25-33(29-46(40)3)30-14-16-49-35(24-30)27-38(44(51)54-5-2)42(49)39-13-12-36(28-45-39)55-22-19-47-17-20-52-21-18-47/h6-16,23-24,26-28,33,40H,4-5,17-22,25,29H2,1-3H3
• InChIKey: WQDQICWFJBWKAS-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 99.25 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	741.89
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate?

The IUPAC name of ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate (CID 144980031) is ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate.

What is the SMILES notation for ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate?

The canonical SMILES for ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate is CCOC(=O)c1cc2ccccn2c1-c1cccc(C2CC(c3ccn4c(-c5ccc(OCCN6CCOCC6)cn5)c(C(=O)OCC)cc4c3)CN2C)c1.

What is the InChIKey of ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate?

The InChIKey is WQDQICWFJBWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H47N5O6/c1-4-53-43(50)37-26-34-11-6-7-15-48(34)41(37)32-10-8-9-31(23-32)40-25-33(29-46(40)3)30-14-16-49-35(24-30)27-38(44(51)54-5-2)42(49)39-13-12-36(28-45-39)55-22-19-47-17-20-52-21-18-47/h6-16,23-24,26-28,33,40H,4-5,17-22,25,29H2,1-3H3.

What are the key properties of ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate?

ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate has a molecular weight of 741.89 g/mol, XLogP of 7.15, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-[5-[3-(2-ethoxycarbonylindolizin-3-yl)phenyl]-1-methylpyrrolidin-3-yl]-3-[5-(2-morpholin-4-ylethoxy)-2-pyridinyl]indolizine-2-carboxylate is sourced from PubChem (CID 144980031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).