(2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide

C20H30N4O3 — CID 56880853

About (2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide

(2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide (PubChem CID 56880853) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide
• PubChem CID: 56880853
• Molecular Formula: C20H30N4O3
• Molecular Weight: 374.49 g/mol
• Exact Mass: 374.23
• IUPAC Name: (2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide
• SMILES: COc1nc2c(cc1CNC(=O)[C@@H](N)CC(C)C)C(=O)N(C1CCCC1)C2
• InChI: InChI=1S/C20H30N4O3/c1-12(2)8-16(21)18(25)22-10-13-9-15-17(23-19(13)27-3)11-24(20(15)26)14-6-4-5-7-14/h9,12,14,16H,4-8,10-11,21H2,1-3H3,(H,22,25)/t16-/m0/s1
• InChIKey: KONSRSDFDVUMFC-INIZCTEOSA-N
• XLogP: 1.98
• TPSA: 97.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.49
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide (CID 56880853) is (2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide.

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

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

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

The InChIKey is KONSRSDFDVUMFC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-12(2)8-16(21)18(25)22-10-13-9-15-17(23-19(13)27-3)11-24(20(15)26)14-6-4-5-7-14/h9,12,14,16H,4-8,10-11,21H2,1-3H3,(H,22,25)/t16-/m0/s1.

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

(2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide has a molecular weight of 374.49 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-methylpentanamide is sourced from PubChem (CID 56880853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).