6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C24H21N3O2 — CID 137226398

IUPAC6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESC=CCCCc1nc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C24H21N3O2/c1-2-3-6-15-18-25-23-20(24(29)26-18)19(16-11-7-4-8-12-16)21(27-23)22(28)17-13-9-5-10-14-17/h2,4-5,7-14H,1,3,6,15H2,(H2,25,26,27,29)
InChIKeyONHHSUFYKALZCY-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.66
Rot. Bonds7

About 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137226398) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137226398
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESC=CCCCc1nc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C24H21N3O2/c1-2-3-6-15-18-25-23-20(24(29)26-18)19(16-11-7-4-8-12-16)21(27-23)22(28)17-13-9-5-10-14-17/h2,4-5,7-14H,1,3,6,15H2,(H2,25,26,27,29)
InChIKeyONHHSUFYKALZCY-UHFFFAOYSA-N
XLogP4.66
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-benzoyl-2-[3-(methylsulfanyl)propyl]-5-phenyl-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137226418
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
4-acetyl-3,5-dimethyl-N-(6-methylpyridin-2-yl)-1H-pyrrole-2-carboxamide
CID 5009129
6-Benzoyl-2-pent-4-ynyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136053645
6-Benzoyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219305
6-Benzoyl-5-(3,5-dibromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136219307
6-Benzoyl-5-(3-chlorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136239337
3-(6-Benzoyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
CID 136239470
6-(4-Bromobenzoyl)-5-(3,5-dibromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136239471
6-Benzoyl-5-(3-bromophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136244483
5-(3,5-Dibromophenyl)-6-(4-fluorobenzoyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136244484

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137226398) is 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is C=CCCCc1nc2[nH]c(C(=O)c3ccccc3)c(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is ONHHSUFYKALZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-2-3-6-15-18-25-23-20(24(29)26-18)19(16-11-7-4-8-12-16)21(27-23)22(28)17-13-9-5-10-14-17/h2,4-5,7-14H,1,3,6,15H2,(H2,25,26,27,29).
What are the key properties of 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 383.45 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-pent-4-enyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137226398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).