5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one

C22H17N3O — CID 172555857

IUPAC5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cc4c(ccn4Cc4ccccc4)cn3)ccc21
InChIInChI=1S/C22H17N3O/c26-22-19-7-6-16(10-18(19)13-24-22)20-11-21-17(12-23-20)8-9-25(21)14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyBWSOSLMPKLACRE-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.99
Rot. Bonds3

About 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one

5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one (PubChem CID 172555857) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one
PubChem CID172555857
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cc4c(ccn4Cc4ccccc4)cn3)ccc21
InChIInChI=1S/C22H17N3O/c26-22-19-7-6-16(10-18(19)13-24-22)20-11-21-17(12-23-20)8-9-25(21)14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)
InChIKeyBWSOSLMPKLACRE-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-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 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one (CID 172555857) is 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3cc4c(ccn4Cc4ccccc4)cn3)ccc21.
What is the InChIKey of 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is BWSOSLMPKLACRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22-19-7-6-16(10-18(19)13-24-22)20-11-21-17(12-23-20)8-9-25(21)14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26).
What are the key properties of 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one?
5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 339.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpyrrolo[3,2-c]pyridin-6-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 172555857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).