1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone

C18H18N2O — CID 5358829

IUPAC1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2c(-c3ccccc3)[nH]c(C)c2c1C
InChIInChI=1S/C18H18N2O/c1-10-15(13(4)21)11(2)20-18-16(10)12(3)19-17(18)14-8-6-5-7-9-14/h5-9,19H,1-4H3
InChIKeyPWAYKGPSWNLPCS-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.36
Rot. Bonds2

About 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone

1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone (PubChem CID 5358829) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone
PubChem CID5358829
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2c(-c3ccccc3)[nH]c(C)c2c1C
InChIInChI=1S/C18H18N2O/c1-10-15(13(4)21)11(2)20-18-16(10)12(3)19-17(18)14-8-6-5-7-9-14/h5-9,19H,1-4H3
InChIKeyPWAYKGPSWNLPCS-UHFFFAOYSA-N
XLogP4.36
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone 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 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone?
The IUPAC name of 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone (CID 5358829) is 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone is CC(=O)c1c(C)nc2c(-c3ccccc3)[nH]c(C)c2c1C.
What is the InChIKey of 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone?
The InChIKey is PWAYKGPSWNLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-10-15(13(4)21)11(2)20-18-16(10)12(3)19-17(18)14-8-6-5-7-9-14/h5-9,19H,1-4H3.
What are the key properties of 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone?
1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone has a molecular weight of 278.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-trimethyl-7-phenyl-6H-pyrrolo[3,4-b]pyridin-3-yl)ethanone is sourced from PubChem (CID 5358829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).