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

C18H12FN3O — CID 135500640

IUPAC7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O/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)
InChIKeyGKSGDCAFEVTBHR-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.52
Rot. Bonds2

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

7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135500640) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135500640
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O/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)
InChIKeyGKSGDCAFEVTBHR-UHFFFAOYSA-N
XLogP3.52
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(4-fluorophenyl)-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

2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135531129
6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 18
CID 135524108
Pyrrolo-pyrimidone, 9
CID 135524117
2-Benzyl-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524134
6-amino-2-fluoro-N,N-dimethyl-3-(4-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
CID 146536490
5,7-Diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol
CID 135463744
N-phenyl-2-[(2-phenylethyl)amino]nicotinamide
CID 714469
N-[3-[6-(3-pyrrolidin-1-ylpropylamino)-3-pyridinyl]phenyl]benzamide
CID 44526802
7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135493519
Pyrrolo-pyrimidone, 2
CID 135524105

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135500640) is 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GKSGDCAFEVTBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/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-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 305.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135500640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).