1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C22H24N6O — CID 51854163

About 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51854163) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 51854163
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)N[C@H](C)c2ccn(C)n2)c2c(C)nn(Cc3ccccc3)c2n1
• InChI: InChI=1S/C22H24N6O/c1-14-12-18(22(29)24-15(2)19-10-11-27(4)26-19)20-16(3)25-28(21(20)23-14)13-17-8-6-5-7-9-17/h5-12,15H,13H2,1-4H3,(H,24,29)/t15-/m1/s1
• InChIKey: FBUQVXUBXOIJLI-OAHLLOKOSA-N
• XLogP: 3.32
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 51854163) is 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H](C)c2ccn(C)n2)c2c(C)nn(Cc3ccccc3)c2n1.

What is the InChIKey of 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is FBUQVXUBXOIJLI-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14-12-18(22(29)24-15(2)19-10-11-27(4)26-19)20-16(3)25-28(21(20)23-14)13-17-8-6-5-7-9-17/h5-12,15H,13H2,1-4H3,(H,24,29)/t15-/m1/s1.

What are the key properties of 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51854163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).