1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C22H26N6O — CID 91821502

About 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 91821502) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 91821502
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(c2nc3ccccc3n2C)C(C)C)c2c(C)nn(C)c2n1
• InChI: InChI=1S/C22H26N6O/c1-12(2)19(21-24-16-9-7-8-10-17(16)27(21)5)25-22(29)15-11-13(3)23-20-18(15)14(4)26-28(20)6/h7-12,19H,1-6H3,(H,25,29)
• InChIKey: NAPCWUZULWWANT-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 91821502) is 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(c2nc3ccccc3n2C)C(C)C)c2c(C)nn(C)c2n1.

What is the InChIKey of 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is NAPCWUZULWWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-12(2)19(21-24-16-9-7-8-10-17(16)27(21)5)25-22(29)15-11-13(3)23-20-18(15)14(4)26-28(20)6/h7-12,19H,1-6H3,(H,25,29).

What are the key properties of 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide?

1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,6-trimethyl-N-[2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 91821502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).