N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide

C17H24N4O4 — CID 137247062

IUPACN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)CN3CCOCC3)cc2c1O
InChIInChI=1S/C17H24N4O4/c1-3-21-10-14-13(17(21)23)8-12(16(19-14)24-2)9-18-15(22)11-20-4-6-25-7-5-20/h8,10,23H,3-7,9,11H2,1-2H3,(H,18,22)
InChIKeyWENQJFRQMLFQPP-UHFFFAOYSA-N
MW348.40 g/mol
LogP0.72
Rot. Bonds6

About N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide

N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide (PubChem CID 137247062) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide
PubChem CID137247062
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide
SMILESCCn1cc2nc(OC)c(CNC(=O)CN3CCOCC3)cc2c1O
InChIInChI=1S/C17H24N4O4/c1-3-21-10-14-13(17(21)23)8-12(16(19-14)24-2)9-18-15(22)11-20-4-6-25-7-5-20/h8,10,23H,3-7,9,11H2,1-2H3,(H,18,22)
InChIKeyWENQJFRQMLFQPP-UHFFFAOYSA-N
XLogP0.72
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide (CID 137247062) is N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide is CCn1cc2nc(OC)c(CNC(=O)CN3CCOCC3)cc2c1O.
What is the InChIKey of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide?
The InChIKey is WENQJFRQMLFQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-3-21-10-14-13(17(21)23)8-12(16(19-14)24-2)9-18-15(22)11-20-4-6-25-7-5-20/h8,10,23H,3-7,9,11H2,1-2H3,(H,18,22).
What are the key properties of N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide?
N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide has a molecular weight of 348.40 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 137247062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).