1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine

C₂₇H₃₄N₈O₂ — CID 67031124

About 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine

1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine (PubChem CID 67031124) has the molecular formula C₂₇H₃₄N₈O₂ and a molecular weight of 502.62 g/mol. Its IUPAC name is 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine.

Molecular Properties

• Compound Name: 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
• PubChem CID: 67031124
• Molecular Formula: C₂₇H₃₄N₈O₂
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.28
• IUPAC Name: 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine
• SMILES: CCn1ncc2c(NC3CCOCC3)c(CN3CCC(c4nc(-c5cccnc5)no4)CC3)c(C)nc21
• InChI: InChI=1S/C27H34N8O2/c1-3-35-26-22(16-29-35)24(31-21-8-13-36-14-9-21)23(18(2)30-26)17-34-11-6-19(7-12-34)27-32-25(33-37-27)20-5-4-10-28-15-20/h4-5,10,15-16,19,21H,3,6-9,11-14,17H2,1-2H3,(H,30,31)
• InChIKey: NYGFSTZWUUCDRQ-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 107.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?

The IUPAC name of 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine (CID 67031124) is 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine.

What is the SMILES notation for 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?

The canonical SMILES for 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine is CCn1ncc2c(NC3CCOCC3)c(CN3CCC(c4nc(-c5cccnc5)no4)CC3)c(C)nc21.

What is the InChIKey of 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?

The InChIKey is NYGFSTZWUUCDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2/c1-3-35-26-22(16-29-35)24(31-21-8-13-36-14-9-21)23(18(2)30-26)17-34-11-6-19(7-12-34)27-32-25(33-37-27)20-5-4-10-28-15-20/h4-5,10,15-16,19,21H,3,6-9,11-14,17H2,1-2H3,(H,30,31).

What are the key properties of 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine?

1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine has a molecular weight of 502.62 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6-methyl-N-(oxan-4-yl)-5-[[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]pyrazolo[3,4-b]pyridin-4-amine is sourced from PubChem (CID 67031124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 67031124 — identifiers, structure, computed properties (public domain)

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