2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

C23H21N3O — CID 72937112

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESO=C(CC1CCc2ccccc21)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H21N3O/c27-22(12-18-11-10-16-6-4-5-9-20(16)18)26-14-19-13-24-23(25-21(19)15-26)17-7-2-1-3-8-17/h1-9,13,18H,10-12,14-15H2
InChIKeyLPUOZEUEWFDGDE-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.11
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone

2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (PubChem CID 72937112) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
PubChem CID72937112
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone
SMILESO=C(CC1CCc2ccccc21)N1Cc2cnc(-c3ccccc3)nc2C1
InChIInChI=1S/C23H21N3O/c27-22(12-18-11-10-16-6-4-5-9-20(16)18)26-14-19-13-24-23(25-21(19)15-26)17-7-2-1-3-8-17/h1-9,13,18H,10-12,14-15H2
InChIKeyLPUOZEUEWFDGDE-UHFFFAOYSA-N
XLogP4.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone (CID 72937112) is 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is O=C(CC1CCc2ccccc21)N1Cc2cnc(-c3ccccc3)nc2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The InChIKey is LPUOZEUEWFDGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c27-22(12-18-11-10-16-6-4-5-9-20(16)18)26-14-19-13-24-23(25-21(19)15-26)17-7-2-1-3-8-17/h1-9,13,18H,10-12,14-15H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone has a molecular weight of 355.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-1-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 72937112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).