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

C20H16ClN3O2 — CID 22582094

IUPAC7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccc(N2C(=O)c3cccnc3C2Nc2ccccc2Cl)c1
InChIInChI=1S/C20H16ClN3O2/c1-26-14-7-4-6-13(12-14)24-19(23-17-10-3-2-9-16(17)21)18-15(20(24)25)8-5-11-22-18/h2-12,19,23H,1H3
InChIKeyVFQADINQQXFBFU-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.51
Rot. Bonds4

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

7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 22582094) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID22582094
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccc(N2C(=O)c3cccnc3C2Nc2ccccc2Cl)c1
InChIInChI=1S/C20H16ClN3O2/c1-26-14-7-4-6-13(12-14)24-19(23-17-10-3-2-9-16(17)21)18-15(20(24)25)8-5-11-22-18/h2-12,19,23H,1H3
InChIKeyVFQADINQQXFBFU-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one (CID 22582094) is 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cccc(N2C(=O)c3cccnc3C2Nc2ccccc2Cl)c1.
What is the InChIKey of 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is VFQADINQQXFBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-26-14-7-4-6-13(12-14)24-19(23-17-10-3-2-9-16(17)21)18-15(20(24)25)8-5-11-22-18/h2-12,19,23H,1H3.
What are the key properties of 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one?
7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 365.82 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 22582094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).