4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one

C22H19IN2O — CID 174232254

IUPAC4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(-n2c(I)cc3c(Cc4ccccc4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C22H19IN2O/c1-15-8-10-18(11-9-15)25-20(23)13-19-17(12-16-6-4-3-5-7-16)14-24(2)22(26)21(19)25/h3-11,13-14H,12H2,1-2H3
InChIKeyKDAHZJWXGCAMPP-UHFFFAOYSA-N
MW454.31 g/mol
LogP4.83
Rot. Bonds3

About 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one

4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 174232254) has the molecular formula C22H19IN2O and a molecular weight of 454.31 g/mol. Its IUPAC name is 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
PubChem CID174232254
Molecular FormulaC22H19IN2O
Molecular Weight454.31 g/mol
Exact Mass454.05
IUPAC Name4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one
SMILESCc1ccc(-n2c(I)cc3c(Cc4ccccc4)cn(C)c(=O)c32)cc1
InChIInChI=1S/C22H19IN2O/c1-15-8-10-18(11-9-15)25-20(23)13-19-17(12-16-6-4-3-5-7-16)14-24(2)22(26)21(19)25/h3-11,13-14H,12H2,1-2H3
InChIKeyKDAHZJWXGCAMPP-UHFFFAOYSA-N
XLogP4.83
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-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 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one (CID 174232254) is 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one is Cc1ccc(-n2c(I)cc3c(Cc4ccccc4)cn(C)c(=O)c32)cc1.
What is the InChIKey of 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is KDAHZJWXGCAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19IN2O/c1-15-8-10-18(11-9-15)25-20(23)13-19-17(12-16-6-4-3-5-7-16)14-24(2)22(26)21(19)25/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one?
4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 454.31 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-iodo-6-methyl-1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 174232254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).