N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide

C24H24N4O4 — CID 51363735

IUPACN-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-4-32-18-10-8-17(9-11-18)26-21(29)14-28-15-25-22-20(13-27(2)23(22)24(28)30)16-6-5-7-19(12-16)31-3/h5-13,15H,4,14H2,1-3H3,(H,26,29)
InChIKeyYPAJCNQTHPVBQL-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.45
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide

N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide (PubChem CID 51363735) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
PubChem CID51363735
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-4-32-18-10-8-17(9-11-18)26-21(29)14-28-15-25-22-20(13-27(2)23(22)24(28)30)16-6-5-7-19(12-16)31-3/h5-13,15H,4,14H2,1-3H3,(H,26,29)
InChIKeyYPAJCNQTHPVBQL-UHFFFAOYSA-N
XLogP3.45
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide (CID 51363735) is N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide is CCOc1ccc(NC(=O)Cn2cnc3c(-c4cccc(OC)c4)cn(C)c3c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
The InChIKey is YPAJCNQTHPVBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-4-32-18-10-8-17(9-11-18)26-21(29)14-28-15-25-22-20(13-27(2)23(22)24(28)30)16-6-5-7-19(12-16)31-3/h5-13,15H,4,14H2,1-3H3,(H,26,29).
What are the key properties of N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide?
N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 51363735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).