1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride

C17H26ClN5O2 — CID 119488813

About 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride

1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride (PubChem CID 119488813) has the molecular formula C17H26ClN5O2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride.

Molecular Properties

• Compound Name: 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride
• PubChem CID: 119488813
• Molecular Formula: C17H26ClN5O2
• Molecular Weight: 367.88 g/mol
• Exact Mass: 367.18
• IUPAC Name: 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride
• SMILES: CNC1CCCN(C(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1.Cl
• InChI: InChI=1S/C17H25N5O2.ClH/c1-10-13(8-14(23)22-7-5-6-12(9-22)18-3)11(2)19-16-15(10)17(24)20-21(16)4;/h12,18H,5-9H2,1-4H3,(H,20,24);1H
• InChIKey: RTLKKTJKCNCJRZ-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 83.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.88
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride?

The IUPAC name of 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride (CID 119488813) is 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride.

What is the SMILES notation for 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride?

The canonical SMILES for 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride is CNC1CCCN(C(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1.Cl.

What is the InChIKey of 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride?

The InChIKey is RTLKKTJKCNCJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2.ClH/c1-10-13(8-14(23)22-7-5-6-12(9-22)18-3)11(2)19-16-15(10)17(24)20-21(16)4;/h12,18H,5-9H2,1-4H3,(H,20,24);1H.

What are the key properties of 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride?

1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4,6-trimethyl-5-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2H-pyrazolo[3,4-b]pyridin-3-one;hydrochloride is sourced from PubChem (CID 119488813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).