ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

C30H39N7O7 — CID 163125126

About ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate

ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (PubChem CID 163125126) has the molecular formula C30H39N7O7 and a molecular weight of 609.68 g/mol. Its IUPAC name is ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• PubChem CID: 163125126
• Molecular Formula: C30H39N7O7
• Molecular Weight: 609.68 g/mol
• Exact Mass: 609.29
• IUPAC Name: ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate
• SMILES: CCCOc1c2c(cc3c1C(=CCn1ccnc1N1CNC4C(=O)NC(N)NC41)C=C(C(=O)OCC)O3)OC(C(C)(C)O)C2
• InChI: InChI=1S/C30H39N7O7/c1-5-11-42-24-17-13-21(30(3,4)40)44-18(17)14-19-22(24)16(12-20(43-19)27(39)41-6-2)7-9-36-10-8-32-29(36)37-15-33-23-25(37)34-28(31)35-26(23)38/h7-8,10,12,14,21,23,25,28,33-34,40H,5-6,9,11,13,15,31H2,1-4H3,(H,35,38)
• InChIKey: CZPSSESRSFITOJ-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 174.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.68
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The IUPAC name of ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate (CID 163125126) is ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate.

What is the SMILES notation for ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The canonical SMILES for ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is CCCOc1c2c(cc3c1C(=CCn1ccnc1N1CNC4C(=O)NC(N)NC41)C=C(C(=O)OCC)O3)OC(C(C)(C)O)C2.

What is the InChIKey of ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

The InChIKey is CZPSSESRSFITOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O7/c1-5-11-42-24-17-13-21(30(3,4)40)44-18(17)14-19-22(24)16(12-20(43-19)27(39)41-6-2)7-9-36-10-8-32-29(36)37-15-33-23-25(37)34-28(31)35-26(23)38/h7-8,10,12,14,21,23,25,28,33-34,40H,5-6,9,11,13,15,31H2,1-4H3,(H,35,38).

What are the key properties of ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate?

ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate has a molecular weight of 609.68 g/mol, XLogP of 0.69, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[2-[2-(2-amino-6-oxo-2,3,4,5,7,8-hexahydro-1H-purin-9-yl)imidazol-1-yl]ethylidene]-2-(2-hydroxypropan-2-yl)-4-propoxy-2,3-dihydrofuro[3,2-g]chromene-7-carboxylate is sourced from PubChem (CID 163125126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).