N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide

C20H28N4O3 — CID 137249387

IUPACN-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1nc2cn(C3CCCC3)c(O)c2cc1CNC(=O)CN1CCCC1
InChIInChI=1S/C20H28N4O3/c1-27-19-14(11-21-18(25)13-23-8-4-5-9-23)10-16-17(22-19)12-24(20(16)26)15-6-2-3-7-15/h10,12,15,26H,2-9,11,13H2,1H3,(H,21,25)
InChIKeyYOHYULJGQXVHSP-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.58
Rot. Bonds6

About N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide

N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 137249387) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID137249387
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1nc2cn(C3CCCC3)c(O)c2cc1CNC(=O)CN1CCCC1
InChIInChI=1S/C20H28N4O3/c1-27-19-14(11-21-18(25)13-23-8-4-5-9-23)10-16-17(22-19)12-24(20(16)26)15-6-2-3-7-15/h10,12,15,26H,2-9,11,13H2,1H3,(H,21,25)
InChIKeyYOHYULJGQXVHSP-UHFFFAOYSA-N
XLogP2.58
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide (CID 137249387) is N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide is COc1nc2cn(C3CCCC3)c(O)c2cc1CNC(=O)CN1CCCC1.
What is the InChIKey of N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is YOHYULJGQXVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-27-19-14(11-21-18(25)13-23-8-4-5-9-23)10-16-17(22-19)12-24(20(16)26)15-6-2-3-7-15/h10,12,15,26H,2-9,11,13H2,1H3,(H,21,25).
What are the key properties of N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide?
N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 372.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 137249387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).