5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C18H12ClN3O — CID 135566686

IUPAC5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccccc1
InChIInChI=1S/C18H12ClN3O/c19-13-8-6-12(7-9-13)15-10-22(14-4-2-1-3-5-14)17-16(15)18(23)21-11-20-17/h1-11H,(H,20,21,23)
InChIKeyVUHYRUNDSUZARS-UHFFFAOYSA-N
MW321.77 g/mol
LogP4.03
Rot. Bonds2

About 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135566686) has the molecular formula C18H12ClN3O and a molecular weight of 321.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135566686
Molecular FormulaC18H12ClN3O
Molecular Weight321.77 g/mol
Exact Mass321.07
IUPAC Name5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccccc1
InChIInChI=1S/C18H12ClN3O/c19-13-8-6-12(7-9-13)15-10-22(14-4-2-1-3-5-14)17-16(15)18(23)21-11-20-17/h1-11H,(H,20,21,23)
InChIKeyVUHYRUNDSUZARS-UHFFFAOYSA-N
XLogP4.03
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one 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

5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135493519
N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-pyrrolidin-1-yl-nicotin-amide
CID 71208846
A1AR antagonist 5
CID 135646528
N-(5-chloropyridin-2-yl)-2-(4-(imino(pyrrolidin-1-yl)methyl)benzamido)benzamide
CID 10297501
4-(5-Chloro-2-methylphenyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrole-3-carboxamide
CID 90034362
1-(6-Aminopyrimidin-4-yl)-4-(5-chloro-2-methylphenyl)pyrrole-3-carboxamide
CID 118129401
7-(4-Fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-ol
CID 135500640
9-Phenyl-6,7,8,9-tetrahydro-5H-1,3,9-triaza-fluoren-4-ol
CID 136056551
7-(3-Chlorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463376
7-(4-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135444983
2-(5-Chloropyridin-2-YL)-3-(phenylamino)-2,3-dihydro-1H-isoindol-1-one
CID 9550464

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135566686) is 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is VUHYRUNDSUZARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O/c19-13-8-6-12(7-9-13)15-10-22(14-4-2-1-3-5-14)17-16(15)18(23)21-11-20-17/h1-11H,(H,20,21,23).
What are the key properties of 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 321.77 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135566686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).