[5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate

C25H21N3O7 — CID 70113179

IUPAC[5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate
SMILESCCc1nc2c(o1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(OC(=O)O)o2)c(=O)[nH]c1=O
InChIInChI=1S/C25H21N3O7/c1-3-19-26-22-18(34-19)8-5-14-10-13(2)4-7-16(14)21(22)17-12-28(24(30)27-23(17)29)11-15-6-9-20(33-15)35-25(31)32/h4-10,12,21H,3,11H2,1-2H3,(H,31,32)(H,27,29,30)
InChIKeyNJDWQCOJVGQCEZ-UHFFFAOYSA-N
MW475.46 g/mol
LogP3.76
Rot. Bonds5

About [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate

[5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate (PubChem CID 70113179) has the molecular formula C25H21N3O7 and a molecular weight of 475.46 g/mol. Its IUPAC name is [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate
PubChem CID70113179
Molecular FormulaC25H21N3O7
Molecular Weight475.46 g/mol
Exact Mass475.14
IUPAC Name[5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate
SMILESCCc1nc2c(o1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(OC(=O)O)o2)c(=O)[nH]c1=O
InChIInChI=1S/C25H21N3O7/c1-3-19-26-22-18(34-19)8-5-14-10-13(2)4-7-16(14)21(22)17-12-28(24(30)27-23(17)29)11-15-6-9-20(33-15)35-25(31)32/h4-10,12,21H,3,11H2,1-2H3,(H,31,32)(H,27,29,30)
InChIKeyNJDWQCOJVGQCEZ-UHFFFAOYSA-N
XLogP3.76
TPSA140.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate?
The IUPAC name of [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate (CID 70113179) is [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate?
The canonical SMILES for [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate is CCc1nc2c(o1)C=Cc1cc(C)ccc1C2c1cn(Cc2ccc(OC(=O)O)o2)c(=O)[nH]c1=O.
What is the InChIKey of [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate?
The InChIKey is NJDWQCOJVGQCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O7/c1-3-19-26-22-18(34-19)8-5-14-10-13(2)4-7-16(14)21(22)17-12-28(24(30)27-23(17)29)11-15-6-9-20(33-15)35-25(31)32/h4-10,12,21H,3,11H2,1-2H3,(H,31,32)(H,27,29,30).
What are the key properties of [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate?
[5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate has a molecular weight of 475.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(5-ethyl-12-methyl-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-2,4-dioxopyrimidin-1-yl]methyl]furan-2-yl] hydrogen carbonate is sourced from PubChem (CID 70113179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).