6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H21F3N6O — CID 55520425

About 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55520425) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 55520425
• Molecular Formula: C22H21F3N6O
• Molecular Weight: 442.45 g/mol
• Exact Mass: 442.17
• IUPAC Name: 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)n(-c2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C22H21F3N6O/c1-12(2)30-20-15(11-26-30)9-18(14(4)27-20)21(32)28-19-8-13(3)29-31(19)17-7-5-6-16(10-17)22(23,24)25/h5-12H,1-4H3,(H,28,32)
• InChIKey: UEQNGFFTQZDOSN-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.45
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 55520425) is 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)n(-c2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is UEQNGFFTQZDOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-12(2)30-20-15(11-26-30)9-18(14(4)27-20)21(32)28-19-8-13(3)29-31(19)17-7-5-6-16(10-17)22(23,24)25/h5-12H,1-4H3,(H,28,32).

What are the key properties of 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55520425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).