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

C19H27N3O3 — CID 155545081

IUPAC3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
SMILESCCn1cc2nc(OC)c(CNC(=O)CCC3CCCC3)cc2c1O
InChIInChI=1S/C19H27N3O3/c1-3-22-12-16-15(19(22)24)10-14(18(21-16)25-2)11-20-17(23)9-8-13-6-4-5-7-13/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,23)
InChIKeyOXUAQQSTDMMODR-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.36
Rot. Bonds7

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

3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide (PubChem CID 155545081) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
PubChem CID155545081
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide
SMILESCCn1cc2nc(OC)c(CNC(=O)CCC3CCCC3)cc2c1O
InChIInChI=1S/C19H27N3O3/c1-3-22-12-16-15(19(22)24)10-14(18(21-16)25-2)11-20-17(23)9-8-13-6-4-5-7-13/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,23)
InChIKeyOXUAQQSTDMMODR-UHFFFAOYSA-N
XLogP3.36
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide (CID 155545081) is 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide is CCn1cc2nc(OC)c(CNC(=O)CCC3CCCC3)cc2c1O.
What is the InChIKey of 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide?
The InChIKey is OXUAQQSTDMMODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-22-12-16-15(19(22)24)10-14(18(21-16)25-2)11-20-17(23)9-8-13-6-4-5-7-13/h10,12-13,24H,3-9,11H2,1-2H3,(H,20,23).
What are the key properties of 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide?
3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide has a molecular weight of 345.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(6-ethyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 155545081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).