2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

C28H23N5O2 — CID 22640326

IUPAC2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)C(C1CC3=C(C=CCC3)O1)N(c1ncc(-c3ccccn3)cn1)C2
InChIInChI=1S/C28H23N5O2/c34-27-19-8-2-3-10-22(19)32-25-20(27)16-33(26(25)24-13-17-7-1-4-11-23(17)35-24)28-30-14-18(15-31-28)21-9-5-6-12-29-21/h2-6,8-12,14-15,24,26H,1,7,13,16H2,(H,32,34)
InChIKeyOXZLRNJFJICYIQ-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.83
Rot. Bonds3

About 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one

2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (PubChem CID 22640326) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
PubChem CID22640326
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
SMILESO=c1c2c([nH]c3ccccc13)C(C1CC3=C(C=CCC3)O1)N(c1ncc(-c3ccccn3)cn1)C2
InChIInChI=1S/C28H23N5O2/c34-27-19-8-2-3-10-22(19)32-25-20(27)16-33(26(25)24-13-17-7-1-4-11-23(17)35-24)28-30-14-18(15-31-28)21-9-5-6-12-29-21/h2-6,8-12,14-15,24,26H,1,7,13,16H2,(H,32,34)
InChIKeyOXZLRNJFJICYIQ-UHFFFAOYSA-N
XLogP4.83
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-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 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The IUPAC name of 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one (CID 22640326) is 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one.
What is the SMILES notation for 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The canonical SMILES for 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is O=c1c2c([nH]c3ccccc13)C(C1CC3=C(C=CCC3)O1)N(c1ncc(-c3ccccn3)cn1)C2.
What is the InChIKey of 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
The InChIKey is OXZLRNJFJICYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c34-27-19-8-2-3-10-22(19)32-25-20(27)16-33(26(25)24-13-17-7-1-4-11-23(17)35-24)28-30-14-18(15-31-28)21-9-5-6-12-29-21/h2-6,8-12,14-15,24,26H,1,7,13,16H2,(H,32,34).
What are the key properties of 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one?
2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one has a molecular weight of 461.53 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-ylpyrimidin-2-yl)-3-(2,3,4,5-tetrahydro-1-benzofuran-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one is sourced from PubChem (CID 22640326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).