6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C15H15N3O3 — CID 57006155

IUPAC6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2Cc3cnc(N)cc3C2=O)cc1OC
InChIInChI=1S/C15H15N3O3/c1-20-12-4-3-10(5-13(12)21-2)18-8-9-7-17-14(16)6-11(9)15(18)19/h3-7H,8H2,1-2H3,(H2,16,17)
InChIKeyZCMHCJQNMKXJSE-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.84
Rot. Bonds3

About 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one

6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 57006155) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID57006155
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2Cc3cnc(N)cc3C2=O)cc1OC
InChIInChI=1S/C15H15N3O3/c1-20-12-4-3-10(5-13(12)21-2)18-8-9-7-17-14(16)6-11(9)15(18)19/h3-7H,8H2,1-2H3,(H2,16,17)
InChIKeyZCMHCJQNMKXJSE-UHFFFAOYSA-N
XLogP1.84
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 57006155) is 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccc(N2Cc3cnc(N)cc3C2=O)cc1OC.
What is the InChIKey of 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZCMHCJQNMKXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-20-12-4-3-10(5-13(12)21-2)18-8-9-7-17-14(16)6-11(9)15(18)19/h3-7H,8H2,1-2H3,(H2,16,17).
What are the key properties of 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 285.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3,4-dimethoxyphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 57006155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).