1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C18H23N7O2 — CID 19496028

About 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 19496028) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 19496028
• Molecular Formula: C18H23N7O2
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.19
• IUPAC Name: 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NCCNC(=O)Cn2nccc2C)c2c(C)nn(C)c2n1
• InChI: InChI=1S/C18H23N7O2/c1-11-9-14(16-13(3)23-24(4)17(16)22-11)18(27)20-8-7-19-15(26)10-25-12(2)5-6-21-25/h5-6,9H,7-8,10H2,1-4H3,(H,19,26)(H,20,27)
• InChIKey: DIIZPCISAPGCQN-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 19496028) is 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCCNC(=O)Cn2nccc2C)c2c(C)nn(C)c2n1.

What is the InChIKey of 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is DIIZPCISAPGCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11-9-14(16-13(3)23-24(4)17(16)22-11)18(27)20-8-7-19-15(26)10-25-12(2)5-6-21-25/h5-6,9H,7-8,10H2,1-4H3,(H,19,26)(H,20,27).

What are the key properties of 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,6-trimethyl-N-[2-[[2-(5-methylpyrazol-1-yl)acetyl]amino]ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19496028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).