2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone

C23H26N6O — CID 142594157

About 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone

2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone (PubChem CID 142594157) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 142594157
• Molecular Formula: C23H26N6O
• Molecular Weight: 402.50 g/mol
• Exact Mass: 402.22
• IUPAC Name: 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone
• SMILES: CCc1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCN(C(=O)CN)CC3)cc12
• InChI: InChI=1S/C23H26N6O/c1-2-16-18-11-15(14-6-9-29(10-7-14)21(30)12-24)3-4-20(18)27-22(16)17-5-8-25-23-19(17)13-26-28-23/h3-5,8,11,13-14,27H,2,6-7,9-10,12,24H2,1H3,(H,25,26,28)
• InChIKey: UCFALXKLKXEGNW-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 103.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.50
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone (CID 142594157) is 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone is CCc1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCN(C(=O)CN)CC3)cc12.

What is the InChIKey of 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?

The InChIKey is UCFALXKLKXEGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-2-16-18-11-15(14-6-9-29(10-7-14)21(30)12-24)3-4-20(18)27-22(16)17-5-8-25-23-19(17)13-26-28-23/h3-5,8,11,13-14,27H,2,6-7,9-10,12,24H2,1H3,(H,25,26,28).

What are the key properties of 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone?

2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 402.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[3-ethyl-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)-1H-indol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 142594157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).