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

C19H15N3O2 — CID 135489967

IUPAC7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-9-7-14(8-10-15)22-11-16(13-5-3-2-4-6-13)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChIKeyVAOBJTRTUSWVKW-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.39
Rot. Bonds3

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

7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135489967) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135489967
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-9-7-14(8-10-15)22-11-16(13-5-3-2-4-6-13)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23)
InChIKeyVAOBJTRTUSWVKW-UHFFFAOYSA-N
XLogP3.39
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolo-pyrimidone, 17
CID 135524085
3,7-Dihydro-7-(4-methoxyphenyl)-5-phenyl-4H-pyrrolo[2,3-d]pyrimidine-4-thione
CID 2049448
Nicotinamide, N-benzyl-2-(p-methoxyanilino)-
CID 1440879
Pyrrolo-pyrimidone, 4
CID 135874060
7-(4-Ethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine-4-thiol
CID 2049450
3-pyridinecarboxamide, 2-[(4-methoxyphenyl)amino]-N-phenyl-
CID 713015
3-(4-methoxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
CID 24761480
6-(3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762327
6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762429
3-[(4-Methoxyphenyl)amino]-2-pyridin-2-ylisoindolin-1-one
CID 16194350
(R)-5-(3,5-Difluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 89907260
(R)-5-(3-Fluorophenyl)-6-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 118195273

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 135489967) is 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is COc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is VAOBJTRTUSWVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-15-9-7-14(8-10-15)22-11-16(13-5-3-2-4-6-13)17-18(22)20-12-21-19(17)23/h2-12H,1H3,(H,20,21,23).
What are the key properties of 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 317.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135489967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).