2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone

C26H38N6O2 — CID 25379341

About 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone

2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone (PubChem CID 25379341) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
• PubChem CID: 25379341
• Molecular Formula: C26H38N6O2
• Molecular Weight: 466.63 g/mol
• Exact Mass: 466.31
• IUPAC Name: 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
• SMILES: CC(C)n1ncc2c(C(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@H](C)C4)CC3)cc(C3CC3)nc21
• InChI: InChI=1S/C26H38N6O2/c1-17(2)32-25-22(13-27-32)21(12-23(28-25)20-5-6-20)26(34)30-9-7-29(8-10-30)16-24(33)31-14-18(3)11-19(4)15-31/h12-13,17-20H,5-11,14-16H2,1-4H3/t18-,19+
• InChIKey: YRZMTTXUZWECIU-KDURUIRLSA-N
• XLogP: 3.15
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.63
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?

The IUPAC name of 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone (CID 25379341) is 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone.

What is the SMILES notation for 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?

The canonical SMILES for 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone is CC(C)n1ncc2c(C(=O)N3CCN(CC(=O)N4C[C@H](C)C[C@H](C)C4)CC3)cc(C3CC3)nc21.

What is the InChIKey of 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?

The InChIKey is YRZMTTXUZWECIU-KDURUIRLSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-17(2)32-25-22(13-27-32)21(12-23(28-25)20-5-6-20)26(34)30-9-7-29(8-10-30)16-24(33)31-14-18(3)11-19(4)15-31/h12-13,17-20H,5-11,14-16H2,1-4H3/t18-,19+.

What are the key properties of 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone?

2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone has a molecular weight of 466.63 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 25379341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).