1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C26H28N8O3 — CID 118151832

About 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 118151832) has the molecular formula C26H28N8O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 118151832
• Molecular Formula: C26H28N8O3
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.23
• IUPAC Name: 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: CN1Cc2cnc3ccc(-c4cnc5[nH]ncc5c4)nc3c2N(C2CCN(C(=O)C(C)(C)O)CC2)C1=O
• InChI: InChI=1S/C26H28N8O3/c1-26(2,37)24(35)33-8-6-18(7-9-33)34-22-17(14-32(3)25(34)36)12-27-20-5-4-19(30-21(20)22)15-10-16-13-29-31-23(16)28-11-15/h4-5,10-13,18,37H,6-9,14H2,1-3H3,(H,28,29,31)
• InChIKey: LDQJMWAWMZLOGO-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 131.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The IUPAC name of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 118151832) is 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

What is the SMILES notation for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The canonical SMILES for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CN1Cc2cnc3ccc(-c4cnc5[nH]ncc5c4)nc3c2N(C2CCN(C(=O)C(C)(C)O)CC2)C1=O.

What is the InChIKey of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The InChIKey is LDQJMWAWMZLOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3/c1-26(2,37)24(35)33-8-6-18(7-9-33)34-22-17(14-32(3)25(34)36)12-27-20-5-4-19(30-21(20)22)15-10-16-13-29-31-23(16)28-11-15/h4-5,10-13,18,37H,6-9,14H2,1-3H3,(H,28,29,31).

What are the key properties of 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 500.56 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methyl-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 118151832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).