1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one

C24H24N8O3 — CID 172786112

About 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one

1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 172786112) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

• Compound Name: 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one
• PubChem CID: 172786112
• Molecular Formula: C24H24N8O3
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.20
• IUPAC Name: 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one
• SMILES: CCn1[nH]c(=O)c2ccc(Nc3cc(N[C@H](CO)c4ccccc4)c(-c4nnc(C)o4)cn3)nc21
• InChI: InChI=1S/C24H24N8O3/c1-3-32-22-16(23(34)31-32)9-10-20(28-22)27-21-11-18(17(12-25-21)24-30-29-14(2)35-24)26-19(13-33)15-7-5-4-6-8-15/h4-12,19,33H,3,13H2,1-2H3,(H,31,34)(H2,25,26,27,28)/t19-/m1/s1
• InChIKey: OXLAIOYOFFVCDF-LJQANCHMSA-N
• XLogP: 3.39
• TPSA: 146.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one?

The IUPAC name of 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one (CID 172786112) is 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one.

What is the SMILES notation for 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one?

The canonical SMILES for 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one is CCn1[nH]c(=O)c2ccc(Nc3cc(N[C@H](CO)c4ccccc4)c(-c4nnc(C)o4)cn3)nc21.

What is the InChIKey of 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one?

The InChIKey is OXLAIOYOFFVCDF-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-3-32-22-16(23(34)31-32)9-10-20(28-22)27-21-11-18(17(12-25-21)24-30-29-14(2)35-24)26-19(13-33)15-7-5-4-6-8-15/h4-12,19,33H,3,13H2,1-2H3,(H,31,34)(H2,25,26,27,28)/t19-/m1/s1.

What are the key properties of 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one?

1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 472.51 g/mol, XLogP of 3.39, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6-[[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 172786112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).