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

C22H25N3O4 — CID 137247056

IUPACN-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide
SMILESCOc1nc2cn(C3CCCC3)c(O)c2cc1CNC(=O)COc1ccccc1
InChIInChI=1S/C22H25N3O4/c1-28-21-15(12-23-20(26)14-29-17-9-3-2-4-10-17)11-18-19(24-21)13-25(22(18)27)16-7-5-6-8-16/h2-4,9-11,13,16,27H,5-8,12,14H2,1H3,(H,23,26)
InChIKeyDXXXKTMFHRLDDT-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.56
Rot. Bonds7

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

N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide (PubChem CID 137247056) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide
PubChem CID137247056
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide
SMILESCOc1nc2cn(C3CCCC3)c(O)c2cc1CNC(=O)COc1ccccc1
InChIInChI=1S/C22H25N3O4/c1-28-21-15(12-23-20(26)14-29-17-9-3-2-4-10-17)11-18-19(24-21)13-25(22(18)27)16-7-5-6-8-16/h2-4,9-11,13,16,27H,5-8,12,14H2,1H3,(H,23,26)
InChIKeyDXXXKTMFHRLDDT-UHFFFAOYSA-N
XLogP3.56
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.56
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-phenoxyacetamide?
The IUPAC name of N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide (CID 137247056) is N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide is COc1nc2cn(C3CCCC3)c(O)c2cc1CNC(=O)COc1ccccc1.
What is the InChIKey of N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide?
The InChIKey is DXXXKTMFHRLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-21-15(12-23-20(26)14-29-17-9-3-2-4-10-17)11-18-19(24-21)13-25(22(18)27)16-7-5-6-8-16/h2-4,9-11,13,16,27H,5-8,12,14H2,1H3,(H,23,26).
What are the key properties of N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide?
N-[(6-cyclopentyl-5-hydroxy-2-methoxypyrrolo[3,4-b]pyridin-3-yl)methyl]-2-phenoxyacetamide has a molecular weight of 395.46 g/mol, XLogP of 3.56, 7 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-phenoxyacetamide is sourced from PubChem (CID 137247056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).