2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone

C26H33N5O2 — CID 110264567

About 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone (PubChem CID 110264567) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
• PubChem CID: 110264567
• Molecular Formula: C26H33N5O2
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.26
• IUPAC Name: 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
• SMILES: COc1ccccc1CNc1n[nH]c2nc(C3CCCN(C(=O)CC4CCCC4)C3)ccc12
• InChI: InChI=1S/C26H33N5O2/c1-33-23-11-5-4-9-19(23)16-27-25-21-12-13-22(28-26(21)30-29-25)20-10-6-14-31(17-20)24(32)15-18-7-2-3-8-18/h4-5,9,11-13,18,20H,2-3,6-8,10,14-17H2,1H3,(H2,27,28,29,30)
• InChIKey: XSUSWJOLAOUEDG-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone (CID 110264567) is 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone is COc1ccccc1CNc1n[nH]c2nc(C3CCCN(C(=O)CC4CCCC4)C3)ccc12.

What is the InChIKey of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone?

The InChIKey is XSUSWJOLAOUEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-33-23-11-5-4-9-19(23)16-27-25-21-12-13-22(28-26(21)30-29-25)20-10-6-14-31(17-20)24(32)15-18-7-2-3-8-18/h4-5,9,11-13,18,20H,2-3,6-8,10,14-17H2,1H3,(H2,27,28,29,30).

What are the key properties of 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone?

2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone has a molecular weight of 447.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1-[3-[3-[(2-methoxyphenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110264567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).