4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile

C25H16N4O2 — CID 139222341

IUPAC4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)c2c(=O)n(-c3ccccc3)c(Oc3ccccc3)nc12
InChIInChI=1S/C25H16N4O2/c26-16-18-17-28(19-10-4-1-5-11-19)23-22(18)27-25(31-21-14-8-3-9-15-21)29(24(23)30)20-12-6-2-7-13-20/h1-15,17H
InChIKeyKUOINTHLBAZPSF-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.84
Rot. Bonds4

About 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile

4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 139222341) has the molecular formula C25H16N4O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
PubChem CID139222341
Molecular FormulaC25H16N4O2
Molecular Weight404.43 g/mol
Exact Mass404.13
IUPAC Name4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
SMILESN#Cc1cn(-c2ccccc2)c2c(=O)n(-c3ccccc3)c(Oc3ccccc3)nc12
InChIInChI=1S/C25H16N4O2/c26-16-18-17-28(19-10-4-1-5-11-19)23-22(18)27-25(31-21-14-8-3-9-15-21)29(24(23)30)20-12-6-2-7-13-20/h1-15,17H
InChIKeyKUOINTHLBAZPSF-UHFFFAOYSA-N
XLogP4.84
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-Methoxyphenyl)-4-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 171347504
(2S)-1-[4-[7-cyano-5-(4-methoxyphenyl)-4-oxopyrrolo[3,2-d]pyrimidin-3-yl]phenyl]pyrrolidine-2-carboxamide
CID 171345357
3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 91610662
2-(4-Chlorophenoxy)-3-(4-fluorophenyl)-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 139222344
3-(4-Fluorophenyl)-2-(2-methylphenoxy)-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 139222345
3-(4-Fluorophenyl)-2-naphthalen-2-yloxy-4-oxo-5-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 91510462
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
3-(4-Fluorophenyl)-2-(4-methoxyphenoxy)-4-oxo-5-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 139075164
3-(4-Fluorophenyl)-2-(2-naphthyloxy)-4-oxo-5-phenyl-4,5-dihydro-3H-\ pyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 168309744
3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-(3-methoxyphenyl)-5-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
CID 51363793

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 139222341) is 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile is N#Cc1cn(-c2ccccc2)c2c(=O)n(-c3ccccc3)c(Oc3ccccc3)nc12.
What is the InChIKey of 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is KUOINTHLBAZPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O2/c26-16-18-17-28(19-10-4-1-5-11-19)23-22(18)27-25(31-21-14-8-3-9-15-21)29(24(23)30)20-12-6-2-7-13-20/h1-15,17H.
What are the key properties of 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile?
4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 404.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenoxy-3,5-diphenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 139222341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).