1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide

C21H22N6O — CID 19588375

About 1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 19588375) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 19588375
• Molecular Formula: C21H22N6O
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.19
• IUPAC Name: 1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1ccc(Cn2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4C)n2)cc1
• InChI: InChI=1S/C21H22N6O/c1-13-5-7-16(8-6-13)12-27-10-9-18(25-27)23-21(28)17-11-14(2)22-20-19(17)15(3)24-26(20)4/h5-11H,12H2,1-4H3,(H,23,25,28)
• InChIKey: DUFKMHMJWYYJQQ-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 19588375) is 1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(C)nc4c3c(C)nn4C)n2)cc1.

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

The InChIKey is DUFKMHMJWYYJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-13-5-7-16(8-6-13)12-27-10-9-18(25-27)23-21(28)17-11-14(2)22-20-19(17)15(3)24-26(20)4/h5-11H,12H2,1-4H3,(H,23,25,28).

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

1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.39, 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-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 19588375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).