1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide

C20H21F3N4O — CID 86934701

About 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 86934701) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 86934701
• Molecular Formula: C20H21F3N4O
• Molecular Weight: 390.41 g/mol
• Exact Mass: 390.17
• IUPAC Name: 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(C)Cc2ccc(C(F)(F)F)cc2)c2c(C)nn(C)c2n1
• InChI: InChI=1S/C20H21F3N4O/c1-11(9-14-5-7-15(8-6-14)20(21,22)23)25-19(28)16-10-12(2)24-18-17(16)13(3)26-27(18)4/h5-8,10-11H,9H2,1-4H3,(H,25,28)
• InChIKey: SGVATJMVQGGFNR-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.41
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 86934701) is 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)Cc2ccc(C(F)(F)F)cc2)c2c(C)nn(C)c2n1.

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

The InChIKey is SGVATJMVQGGFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c1-11(9-14-5-7-15(8-6-14)20(21,22)23)25-19(28)16-10-12(2)24-18-17(16)13(3)26-27(18)4/h5-8,10-11H,9H2,1-4H3,(H,25,28).

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

1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 390.41 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,6-trimethyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86934701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).