4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C25H30F3N5O — CID 69245695

About 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69245695) has the molecular formula C25H30F3N5O and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 69245695
• Molecular Formula: C25H30F3N5O
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.24
• IUPAC Name: 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H30F3N5O/c1-3-21(16-10-12-17(13-11-16)25(26,27)28)32-24(34)20-14-29-23-19(15-30-33(23)4-2)22(20)31-18-8-6-5-7-9-18/h10-15,18,21H,3-9H2,1-2H3,(H,29,31)(H,32,34)
• InChIKey: NBVPRXKQYFFUPA-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 69245695) is 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is CCC(NC(=O)c1cnc2c(cnn2CC)c1NC1CCCCC1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is NBVPRXKQYFFUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O/c1-3-21(16-10-12-17(13-11-16)25(26,27)28)32-24(34)20-14-29-23-19(15-30-33(23)4-2)22(20)31-18-8-6-5-7-9-18/h10-15,18,21H,3-9H2,1-2H3,(H,29,31)(H,32,34).

What are the key properties of 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide?

4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclohexylamino)-1-ethyl-N-[1-[4-(trifluoromethyl)phenyl]propyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69245695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).