6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C20H26N6O2 — CID 119036856

About 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119036856) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 119036856
• Molecular Formula: C20H26N6O2
• Molecular Weight: 382.47 g/mol
• Exact Mass: 382.21
• IUPAC Name: 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cc(C3CCCOC3)nn2C)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C20H26N6O2/c1-12(2)26-19-16(10-21-26)15(8-13(3)22-19)20(27)23-18-9-17(24-25(18)4)14-6-5-7-28-11-14/h8-10,12,14H,5-7,11H2,1-4H3,(H,23,27)
• InChIKey: SGVAHNYWZZEISV-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 119036856) is 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2cc(C3CCCOC3)nn2C)c2cnn(C(C)C)c2n1.

What is the InChIKey of 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is SGVAHNYWZZEISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-12(2)26-19-16(10-21-26)15(8-13(3)22-19)20(27)23-18-9-17(24-25(18)4)14-6-5-7-28-11-14/h8-10,12,14H,5-7,11H2,1-4H3,(H,23,27).

What are the key properties of 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119036856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).