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

C23H22N4O2 — CID 142556221

IUPAC7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1CC(COc2ccc(-c3cn(-c4ccccc4)c4c(=O)[nH]cnc34)cc2)C1
InChIInChI=1S/C23H22N4O2/c1-26-11-16(12-26)14-29-19-9-7-17(8-10-19)20-13-27(18-5-3-2-4-6-18)22-21(20)24-15-25-23(22)28/h2-10,13,15-16H,11-12,14H2,1H3,(H,24,25,28)
InChIKeyFKDLOHJXQNFGOC-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.32
Rot. Bonds5

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

7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 142556221) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID142556221
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCN1CC(COc2ccc(-c3cn(-c4ccccc4)c4c(=O)[nH]cnc34)cc2)C1
InChIInChI=1S/C23H22N4O2/c1-26-11-16(12-26)14-29-19-9-7-17(8-10-19)20-13-27(18-5-3-2-4-6-18)22-21(20)24-15-25-23(22)28/h2-10,13,15-16H,11-12,14H2,1H3,(H,24,25,28)
InChIKeyFKDLOHJXQNFGOC-UHFFFAOYSA-N
XLogP3.32
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one (CID 142556221) is 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is CN1CC(COc2ccc(-c3cn(-c4ccccc4)c4c(=O)[nH]cnc34)cc2)C1.
What is the InChIKey of 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is FKDLOHJXQNFGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26-11-16(12-26)14-29-19-9-7-17(8-10-19)20-13-27(18-5-3-2-4-6-18)22-21(20)24-15-25-23(22)28/h2-10,13,15-16H,11-12,14H2,1H3,(H,24,25,28).
What are the key properties of 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one?
7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 386.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(1-methylazetidin-3-yl)methoxy]phenyl]-5-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142556221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).