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

C18H12BrN3O — CID 135493519

IUPAC7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1
InChIInChI=1S/C18H12BrN3O/c19-13-6-8-14(9-7-13)22-10-15(12-4-2-1-3-5-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
InChIKeyPNDQJUVRRFIFTM-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.14
Rot. Bonds2

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

7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135493519) has the molecular formula C18H12BrN3O and a molecular weight of 366.22 g/mol. Its IUPAC name is 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135493519
Molecular FormulaC18H12BrN3O
Molecular Weight366.22 g/mol
Exact Mass365.02
IUPAC Name7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1
InChIInChI=1S/C18H12BrN3O/c19-13-6-8-14(9-7-13)22-10-15(12-4-2-1-3-5-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23)
InChIKeyPNDQJUVRRFIFTM-UHFFFAOYSA-N
XLogP4.14
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(4-bromophenyl)-5-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-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
5-Phenyl-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135399632
7-(3-Methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463790
6,7-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136205715
5-(4-Chlorophenyl)-7-Phenyl-3,7-Dihydro-4h-Pyrrolo[2,3-D]pyrimidin-4-One
CID 135566686
7-cyclohexyl-5,6-diphenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137243595
5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide
CID 91241789
5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135467740

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135493519) is 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1.
What is the InChIKey of 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is PNDQJUVRRFIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O/c19-13-6-8-14(9-7-13)22-10-15(12-4-2-1-3-5-12)16-17(22)20-11-21-18(16)23/h1-11H,(H,20,21,23).
What are the key properties of 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 366.22 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135493519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).