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

C26H25N5O2 — CID 55899483

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

N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55899483) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 55899483
• Molecular Formula: C26H25N5O2
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.20
• IUPAC Name: N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1
• InChI: InChI=1S/C26H25N5O2/c1-17(2)31-25-21(15-28-31)14-23(18(3)29-25)26(32)30-24-7-5-4-6-20(24)16-33-22-10-8-19(9-11-22)12-13-27/h4-11,14-15,17H,12,16H2,1-3H3,(H,30,32)
• InChIKey: ZFVZPHLNRLKXTI-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 92.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 55899483) is N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

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

The canonical SMILES for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1.

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

The InChIKey is ZFVZPHLNRLKXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-17(2)31-25-21(15-28-31)14-23(18(3)29-25)26(32)30-24-7-5-4-6-20(24)16-33-22-10-8-19(9-11-22)12-13-27/h4-11,14-15,17H,12,16H2,1-3H3,(H,30,32).

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

N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55899483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).