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

C20H23N3O3 — CID 57148496

IUPAC6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2C(=O)c3cc(N)ncc3C2C)cc1OC1CCCC1
InChIInChI=1S/C20H23N3O3/c1-12-16-11-22-19(21)10-15(16)20(24)23(12)13-7-8-17(25-2)18(9-13)26-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H2,21,22)
InChIKeyMTGZECDXJXBNNZ-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.72
Rot. Bonds4

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

6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 57148496) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID57148496
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(N2C(=O)c3cc(N)ncc3C2C)cc1OC1CCCC1
InChIInChI=1S/C20H23N3O3/c1-12-16-11-22-19(21)10-15(16)20(24)23(12)13-7-8-17(25-2)18(9-13)26-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H2,21,22)
InChIKeyMTGZECDXJXBNNZ-UHFFFAOYSA-N
XLogP3.72
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.72
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-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 57148496) is 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccc(N2C(=O)c3cc(N)ncc3C2C)cc1OC1CCCC1.
What is the InChIKey of 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is MTGZECDXJXBNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-16-11-22-19(21)10-15(16)20(24)23(12)13-7-8-17(25-2)18(9-13)26-14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H2,21,22).
What are the key properties of 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?
6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 353.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(3-cyclopentyloxy-4-methoxyphenyl)-3-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 57148496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).