ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate

C17H13N3O3 — CID 20617957

IUPACethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)C(C#N)=C(c1ccccc1)C2
InChIInChI=1S/C17H13N3O3/c1-2-23-17(22)14-10-20-9-13(11-6-4-3-5-7-11)12(8-18)15(20)19-16(14)21/h3-7,10H,2,9H2,1H3
InChIKeyWQOGYCOUMNJBMZ-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.87
Rot. Bonds3

About ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate

ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate (PubChem CID 20617957) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
PubChem CID20617957
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Nameethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cn2c(nc1=O)C(C#N)=C(c1ccccc1)C2
InChIInChI=1S/C17H13N3O3/c1-2-23-17(22)14-10-20-9-13(11-6-4-3-5-7-11)12(8-18)15(20)19-16(14)21/h3-7,10H,2,9H2,1H3
InChIKeyWQOGYCOUMNJBMZ-UHFFFAOYSA-N
XLogP1.87
TPSA84.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate 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

ethyl 7-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11781096
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 54008795
ethyl 1-ethyl-7-methyl-4-oxo-6-phenyl-1,8-naphthyridine-3-carboxylate
CID 15414746
ethyl 1-acetyl-4-methyl-5-phenylpyrrole-3-carboxylate
CID 4680387
ethyl 5-cyano-6-(dimethylamino)-2-phenylpyridine-3-carboxylate
CID 1489423
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
ethyl 4-(2,5-dihydropyrrol-1-yl)-2-phenylpyrimidine-5-carboxylate
CID 59517593
ethyl 4-cyano-1-phenylpyrido[1,2-a]benzimidazole-3-carboxylate
CID 122225994
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
ethyl 4-(aminomethyl)-3-cyano-2-phenylbenzoate
CID 174979223
ethyl 1-(4-methoxyphenyl)-7-oxo-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 11823208

Frequently Asked Questions

What is the IUPAC name of ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate (CID 20617957) is ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate is CCOC(=O)c1cn2c(nc1=O)C(C#N)=C(c1ccccc1)C2.
What is the InChIKey of ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate?
The InChIKey is WQOGYCOUMNJBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-2-23-17(22)14-10-20-9-13(11-6-4-3-5-7-11)12(8-18)15(20)19-16(14)21/h3-7,10H,2,9H2,1H3.
What are the key properties of ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate?
ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-cyano-2-oxo-7-phenyl-6H-pyrrolo[1,2-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 20617957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).