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

C18H11ClFN3O — CID 135467740

IUPAC5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C18H11ClFN3O/c19-12-3-1-11(2-4-12)15-9-23(14-7-5-13(20)6-8-14)17-16(15)18(24)22-10-21-17/h1-10H,(H,21,22,24)
InChIKeyFJPSNDRTUGZDMM-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.17
Rot. Bonds2

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

5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135467740) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135467740
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(F)cc1
InChIInChI=1S/C18H11ClFN3O/c19-12-3-1-11(2-4-12)15-9-23(14-7-5-13(20)6-8-14)17-16(15)18(24)22-10-21-17/h1-10H,(H,21,22,24)
InChIKeyFJPSNDRTUGZDMM-UHFFFAOYSA-N
XLogP4.17
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
6-(3-Chlorophenylamino)-N-(4-fluorobenzyl)-4-isopropyl-nicotinamide
CID 17984783
7-(4-Fluorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-ol
CID 135500640
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
N-(3-chlorophenyl)-6-(ethylcarbamoylamino)-4-phenylpyridine-3-carboxamide
CID 118712313
6-(3,5-dimethylphenyl)-3-(3-fluorophenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 162652429
4-[5-(4-chlorophenyl)-2-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 162658384

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135467740) is 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is FJPSNDRTUGZDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-12-3-1-11(2-4-12)15-9-23(14-7-5-13(20)6-8-14)17-16(15)18(24)22-10-21-17/h1-10H,(H,21,22,24).
What are the key properties of 5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-7-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 339.76 g/mol, XLogP of 4.17, 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-(4-fluorophenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135467740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).