2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide

C22H20N4O3 — CID 22582261

IUPAC2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
SMILESCOc1ccc(CN2C(=O)c3cccnc3C2Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C22H20N4O3/c1-29-15-10-8-14(9-11-15)13-26-21(19-17(22(26)28)6-4-12-24-19)25-18-7-3-2-5-16(18)20(23)27/h2-12,21,25H,13H2,1H3,(H2,23,27)
InChIKeyBDSJTCSJKCCKLE-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.96
Rot. Bonds6

About 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide

2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide (PubChem CID 22582261) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
PubChem CID22582261
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide
SMILESCOc1ccc(CN2C(=O)c3cccnc3C2Nc2ccccc2C(N)=O)cc1
InChIInChI=1S/C22H20N4O3/c1-29-15-10-8-14(9-11-15)13-26-21(19-17(22(26)28)6-4-12-24-19)25-18-7-3-2-5-16(18)20(23)27/h2-12,21,25H,13H2,1H3,(H2,23,27)
InChIKeyBDSJTCSJKCCKLE-UHFFFAOYSA-N
XLogP2.96
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide 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-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
The IUPAC name of 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide (CID 22582261) is 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide.
What is the SMILES notation for 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
The canonical SMILES for 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide is COc1ccc(CN2C(=O)c3cccnc3C2Nc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
The InChIKey is BDSJTCSJKCCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-29-15-10-8-14(9-11-15)13-26-21(19-17(22(26)28)6-4-12-24-19)25-18-7-3-2-5-16(18)20(23)27/h2-12,21,25H,13H2,1H3,(H2,23,27).
What are the key properties of 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide?
2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(4-methoxyphenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzamide is sourced from PubChem (CID 22582261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).