5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide

C24H21N5O5 — CID 171348694

IUPAC5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(-n2cc(C(N)=O)c3ncn(-c4ccc(N5CCOCC5=O)cc4)c(=O)c32)cc1
InChIInChI=1S/C24H21N5O5/c1-33-18-8-6-16(7-9-18)28-12-19(23(25)31)21-22(28)24(32)29(14-26-21)17-4-2-15(3-5-17)27-10-11-34-13-20(27)30/h2-9,12,14H,10-11,13H2,1H3,(H2,25,31)
InChIKeyGRISOVQJUMCPTE-UHFFFAOYSA-N
MW459.46 g/mol
LogP1.65
Rot. Bonds5

About 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide

5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 171348694) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide
PubChem CID171348694
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC Name5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide
SMILESCOc1ccc(-n2cc(C(N)=O)c3ncn(-c4ccc(N5CCOCC5=O)cc4)c(=O)c32)cc1
InChIInChI=1S/C24H21N5O5/c1-33-18-8-6-16(7-9-18)28-12-19(23(25)31)21-22(28)24(32)29(14-26-21)17-4-2-15(3-5-17)27-10-11-34-13-20(27)30/h2-9,12,14H,10-11,13H2,1H3,(H2,25,31)
InChIKeyGRISOVQJUMCPTE-UHFFFAOYSA-N
XLogP1.65
TPSA121.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(4-Methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 171347504
US10112940, Example 18
CID 137002303
(2S)-1-[4-[7-cyano-5-(4-methoxyphenyl)-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]phenyl]pyrrolidine-2-carboxamide
CID 171345357
US10112940, Example 49
CID 137002360
5-methyl-2,4-dioxo-3-phenyl-N-(4-(trifluoromethoxy)phenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568316
3-benzyl-5-methyl-2,4-dioxo-N-(4-(trifluoromethoxy)phenyl)-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231328
N-(4-ethoxyphenyl)-2-[7-(3-methoxyphenyl)-5-methyl-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]acetamide
CID 51363735
7-(3-methoxyphenyl)-3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 51363799
2-(3-cyclopropyl-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)-N-(2-ethoxyphenyl)acetamide
CID 53131627
N-(2-ethoxyphenyl)-2-[3-(3-methoxypropyl)-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 53131687
2-[4-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 90908425
1-(3-Fluoro-4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrrolo[2,3-c]pyridine-3-carboxamide
CID 131997832

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 171348694) is 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide is COc1ccc(-n2cc(C(N)=O)c3ncn(-c4ccc(N5CCOCC5=O)cc4)c(=O)c32)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is GRISOVQJUMCPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5/c1-33-18-8-6-16(7-9-18)28-12-19(23(25)31)21-22(28)24(32)29(14-26-21)17-4-2-15(3-5-17)27-10-11-34-13-20(27)30/h2-9,12,14H,10-11,13H2,1H3,(H2,25,31).
What are the key properties of 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide?
5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 459.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 171348694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).