7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

C21H18ClN3O2 — CID 20910361

IUPAC7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-5-10-18(17(22)12-13)24-20-19-16(4-3-11-23-19)21(26)25(20)14-6-8-15(27-2)9-7-14/h3-12,20,24H,1-2H3
InChIKeyDINBJIUZHNIGMP-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.82
Rot. Bonds4

About 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 20910361) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID20910361
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C21H18ClN3O2/c1-13-5-10-18(17(22)12-13)24-20-19-16(4-3-11-23-19)21(26)25(20)14-6-8-15(27-2)9-7-14/h3-12,20,24H,1-2H3
InChIKeyDINBJIUZHNIGMP-UHFFFAOYSA-N
XLogP4.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-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 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 20910361) is 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is DINBJIUZHNIGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-5-10-18(17(22)12-13)24-20-19-16(4-3-11-23-19)21(26)25(20)14-6-8-15(27-2)9-7-14/h3-12,20,24H,1-2H3.
What are the key properties of 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 379.85 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-methylanilino)-6-(4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 20910361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).