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

C23H27N3O3 — CID 56878673

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide (PubChem CID 56878673) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

• Compound Name: N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide
• PubChem CID: 56878673
• Molecular Formula: C23H27N3O3
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide
• SMILES: COc1nc2c(cc1CNC(=O)CCc1ccccc1)C(=O)N(C1CCCC1)C2
• InChI: InChI=1S/C23H27N3O3/c1-29-22-17(14-24-21(27)12-11-16-7-3-2-4-8-16)13-19-20(25-22)15-26(23(19)28)18-9-5-6-10-18/h2-4,7-8,13,18H,5-6,9-12,14-15H2,1H3,(H,24,27)
• InChIKey: FTHIPOMEYAYCFH-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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]-3-phenylpropanamide?

The IUPAC name of N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide (CID 56878673) is N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide.

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

The canonical SMILES for N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide is COc1nc2c(cc1CNC(=O)CCc1ccccc1)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]-3-phenylpropanamide?

The InChIKey is FTHIPOMEYAYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-22-17(14-24-21(27)12-11-16-7-3-2-4-8-16)13-19-20(25-22)15-26(23(19)28)18-9-5-6-10-18/h2-4,7-8,13,18H,5-6,9-12,14-15H2,1H3,(H,24,27).

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

N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 393.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-phenylpropanamide is sourced from PubChem (CID 56878673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).