(2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

C22H17N3O2 — CID 72858209

IUPAC(2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1cc2cc(C(=O)N3Cc4cnc(-c5ccccc5)nc4C3)ccc2o1
InChIInChI=1S/C22H17N3O2/c1-14-9-17-10-16(7-8-20(17)27-14)22(26)25-12-18-11-23-21(24-19(18)13-25)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeySKRLVTOMXVOBBT-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.35
Rot. Bonds2

About (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone

(2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (PubChem CID 72858209) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
PubChem CID72858209
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name(2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone
SMILESCc1cc2cc(C(=O)N3Cc4cnc(-c5ccccc5)nc4C3)ccc2o1
InChIInChI=1S/C22H17N3O2/c1-14-9-17-10-16(7-8-20(17)27-14)22(26)25-12-18-11-23-21(24-19(18)13-25)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeySKRLVTOMXVOBBT-UHFFFAOYSA-N
XLogP4.35
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone 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 (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The IUPAC name of (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone (CID 72858209) is (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is Cc1cc2cc(C(=O)N3Cc4cnc(-c5ccccc5)nc4C3)ccc2o1.
What is the InChIKey of (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
The InChIKey is SKRLVTOMXVOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-9-17-10-16(7-8-20(17)27-14)22(26)25-12-18-11-23-21(24-19(18)13-25)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone?
(2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone has a molecular weight of 355.40 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-benzofuran-5-yl)-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 72858209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).