ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C32H38N8O7 — CID 163130087

About ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 163130087) has the molecular formula C32H38N8O7 and a molecular weight of 646.71 g/mol. Its IUPAC name is ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• PubChem CID: 163130087
• Molecular Formula: C32H38N8O7
• Molecular Weight: 646.71 g/mol
• Exact Mass: 646.29
• IUPAC Name: ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• SMILES: CCOC(=O)C1=CC(=CCN2C=CNC2N2CN=C3C(=O)N=C(N)N=C32)c2c(cc3c(c2OC)CC(C(C)(O)C2CCNCC2)O3)O1
• InChI: InChI=1S/C32H38N8O7/c1-4-45-29(42)22-13-17(7-11-39-12-10-35-31(39)40-16-36-25-27(40)37-30(33)38-28(25)41)24-21(46-22)15-20-19(26(24)44-3)14-23(47-20)32(2,43)18-5-8-34-9-6-18/h7,10,12-13,15,18,23,31,34-35,43H,4-6,8-9,11,14,16H2,1-3H3,(H2,33,38,41)
• InChIKey: FUOMRZIIKZHNEC-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 184.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.71
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The IUPAC name of ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 163130087) is ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

What is the SMILES notation for ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The canonical SMILES for ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCOC(=O)C1=CC(=CCN2C=CNC2N2CN=C3C(=O)N=C(N)N=C32)c2c(cc3c(c2OC)CC(C(C)(O)C2CCNCC2)O3)O1.

What is the InChIKey of ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The InChIKey is FUOMRZIIKZHNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O7/c1-4-45-29(42)22-13-17(7-11-39-12-10-35-31(39)40-16-36-25-27(40)37-30(33)38-28(25)41)24-21(46-22)15-20-19(26(24)44-3)14-23(47-20)32(2,43)18-5-8-34-9-6-18/h7,10,12-13,15,18,23,31,34-35,43H,4-6,8-9,11,14,16H2,1-3H3,(H2,33,38,41).

What are the key properties of ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 646.71 g/mol, XLogP of 0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-[2-(2-amino-6-oxo-8H-purin-9-yl)-1,2-dihydroimidazol-3-yl]ethylidene]-2-(1-hydroxy-1-piperidin-4-ylethyl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 163130087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).