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

C24H23N5O2 — CID 55494613

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

N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55494613) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55494613
• Molecular Formula: C24H23N5O2
• Molecular Weight: 413.48 g/mol
• Exact Mass: 413.19
• IUPAC Name: N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1
• InChI: InChI=1S/C24H23N5O2/c1-14(2)29-23-21(13-26-29)20(12-22(28-23)19-11-15(3)31-16(19)4)24(30)27-18-7-5-17(6-8-18)9-10-25/h5-8,11-14H,9H2,1-4H3,(H,27,30)
• InChIKey: BXCPLHHYNVUNTM-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 96.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.48
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55494613) is N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)Nc3ccc(CC#N)cc3)c3cnn(C(C)C)c3n2)c(C)o1.

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

The InChIKey is BXCPLHHYNVUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-14(2)29-23-21(13-26-29)20(12-22(28-23)19-11-15(3)31-16(19)4)24(30)27-18-7-5-17(6-8-18)9-10-25/h5-8,11-14H,9H2,1-4H3,(H,27,30).

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

N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(cyanomethyl)phenyl]-6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55494613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).