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

C24H19N5O4 — CID 171347504

IUPAC5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCOc1ccc(-n2cc(C#N)c3ncn(-c4ccc(N5CCOCC5=O)cc4)c(=O)c32)cc1
InChIInChI=1S/C24H19N5O4/c1-32-20-8-6-18(7-9-20)28-13-16(12-25)22-23(28)24(31)29(15-26-22)19-4-2-17(3-5-19)27-10-11-33-14-21(27)30/h2-9,13,15H,10-11,14H2,1H3
InChIKeyVHCPUUXYBBRLDR-UHFFFAOYSA-N
MW441.45 g/mol
LogP2.42
Rot. Bonds4

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

5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 171347504) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID171347504
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC Name5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESCOc1ccc(-n2cc(C#N)c3ncn(-c4ccc(N5CCOCC5=O)cc4)c(=O)c32)cc1
InChIInChI=1S/C24H19N5O4/c1-32-20-8-6-18(7-9-20)28-13-16(12-25)22-23(28)24(31)29(15-26-22)19-4-2-17(3-5-19)27-10-11-33-14-21(27)30/h2-9,13,15H,10-11,14H2,1H3
InChIKeyVHCPUUXYBBRLDR-UHFFFAOYSA-N
XLogP2.42
TPSA102.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-1-[4-[7-cyano-5-(4-methoxyphenyl)-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]phenyl]pyrrolidine-2-carboxamide
CID 171345357
5-(4-Methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 171348694
3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 91610662
3-(4-Fluorophenyl)-2-(2-methylphenoxy)-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 139222345
4-Oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 139222341
2-(4-Methylphenoxy)-4-oxo-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 139222342
2-(3,4-Dimethylphenoxy)-4-oxo-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 139222343
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
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
Tert-butyl 4-[4-(3-amino-4-cyano-2-methoxycarbonylpyrrol-1-yl)-2-fluorophenoxy]piperidine-1-carboxylate
CID 168548297
2-(3-butyl-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)-N-(4-methoxyphenyl)acetamide
CID 49673174
N-(2-ethoxyphenyl)-2-[3-(2-methoxyethyl)-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]acetamide
CID 49673509

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-carbonitrile?
The IUPAC name of 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 171347504) is 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile is COc1ccc(-n2cc(C#N)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-carbonitrile?
The InChIKey is VHCPUUXYBBRLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4/c1-32-20-8-6-18(7-9-20)28-13-16(12-25)22-23(28)24(31)29(15-26-22)19-4-2-17(3-5-19)27-10-11-33-14-21(27)30/h2-9,13,15H,10-11,14H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile?
5-(4-methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 441.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 171347504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).