N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide

C20H28N4O4 — CID 95502545

About N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide (PubChem CID 95502545) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide
• PubChem CID: 95502545
• Molecular Formula: C20H28N4O4
• Molecular Weight: 388.47 g/mol
• Exact Mass: 388.21
• IUPAC Name: N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide
• SMILES: COc1nc2c(cc1CNC(=O)C[C@@H]1COCCN1)C(=O)N(C1CCCC1)C2
• InChI: InChI=1S/C20H28N4O4/c1-27-19-13(10-22-18(25)9-14-12-28-7-6-21-14)8-16-17(23-19)11-24(20(16)26)15-4-2-3-5-15/h8,14-15,21H,2-7,9-12H2,1H3,(H,22,25)/t14-/m1/s1
• InChIKey: SJZGYGZECYWOTN-CQSZACIVSA-N
• XLogP: 0.98
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.47
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide?

The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide (CID 95502545) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide.

What is the SMILES notation for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide?

The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide is COc1nc2c(cc1CNC(=O)C[C@@H]1COCCN1)C(=O)N(C1CCCC1)C2.

What is the InChIKey of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide?

The InChIKey is SJZGYGZECYWOTN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-27-19-13(10-22-18(25)9-14-12-28-7-6-21-14)8-16-17(23-19)11-24(20(16)26)15-4-2-3-5-15/h8,14-15,21H,2-7,9-12H2,1H3,(H,22,25)/t14-/m1/s1.

What are the key properties of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide?

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide has a molecular weight of 388.47 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-[(3R)-morpholin-3-yl]acetamide is sourced from PubChem (CID 95502545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).