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

C18H27N5O2 — CID 119435162

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

5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 119435162) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

• Compound Name: 5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
• PubChem CID: 119435162
• Molecular Formula: C18H27N5O2
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.22
• IUPAC Name: 5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one
• SMILES: Cc1nc2c(c(C)c1CC(=O)N1CCCCC1C(C)N)c(=O)[nH]n2C
• InChI: InChI=1S/C18H27N5O2/c1-10-13(12(3)20-17-16(10)18(25)21-22(17)4)9-15(24)23-8-6-5-7-14(23)11(2)19/h11,14H,5-9,19H2,1-4H3,(H,21,25)
• InChIKey: AUJSKXDILYGDIW-UHFFFAOYSA-N
• XLogP: 1.15
• TPSA: 97.01 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	345.45
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 119435162) is 5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one.

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

The canonical SMILES for 5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is Cc1nc2c(c(C)c1CC(=O)N1CCCCC1C(C)N)c(=O)[nH]n2C.

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

The InChIKey is AUJSKXDILYGDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-10-13(12(3)20-17-16(10)18(25)21-22(17)4)9-15(24)23-8-6-5-7-14(23)11(2)19/h11,14H,5-9,19H2,1-4H3,(H,21,25).

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

5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 345.45 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,4,6-trimethyl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 119435162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).