7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

C24H24N4O2 — CID 138555669

IUPAC7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1CCC(COc2ccc(-c3cn(-c4ccccc4)c4c(=O)[nH]cnc34)cc2)C1
InChIInChI=1S/C24H24N4O2/c1-27-12-11-17(13-27)15-30-20-9-7-18(8-10-20)21-14-28(19-5-3-2-4-6-19)23-22(21)25-16-26-24(23)29/h2-10,14,16-17H,11-13,15H2,1H3,(H,25,26,29)
InChIKeyLRKJYAIJALWDGK-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.71
Rot. Bonds5

About 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one

7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 138555669) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID138555669
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1CCC(COc2ccc(-c3cn(-c4ccccc4)c4c(=O)[nH]cnc34)cc2)C1
InChIInChI=1S/C24H24N4O2/c1-27-12-11-17(13-27)15-30-20-9-7-18(8-10-20)21-14-28(19-5-3-2-4-6-19)23-22(21)25-16-26-24(23)29/h2-10,14,16-17H,11-13,15H2,1H3,(H,25,26,29)
InChIKeyLRKJYAIJALWDGK-UHFFFAOYSA-N
XLogP3.71
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 138555669) is 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is CN1CCC(COc2ccc(-c3cn(-c4ccccc4)c4c(=O)[nH]cnc34)cc2)C1.
What is the InChIKey of 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is LRKJYAIJALWDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-27-12-11-17(13-27)15-30-20-9-7-18(8-10-20)21-14-28(19-5-3-2-4-6-19)23-22(21)25-16-26-24(23)29/h2-10,14,16-17H,11-13,15H2,1H3,(H,25,26,29).
What are the key properties of 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 400.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 138555669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).