N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H25N5O2 — CID 55780289

About N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55780289) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55780289
• Molecular Formula: C23H25N5O2
• Molecular Weight: 403.49 g/mol
• Exact Mass: 403.20
• IUPAC Name: N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(N(C)C)ccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C
• InChI: InChI=1S/C23H25N5O2/c1-14(2)28-22-18(13-24-28)17(12-20(25-22)21-7-6-10-30-21)23(29)26-19-9-8-16(27(4)5)11-15(19)3/h6-14H,1-5H3,(H,26,29)
• InChIKey: OMCBDZMLOXFJPC-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 76.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.49
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55780289) is N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(N(C)C)ccc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C.

What is the InChIKey of N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is OMCBDZMLOXFJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14(2)28-22-18(13-24-28)17(12-20(25-22)21-7-6-10-30-21)23(29)26-19-9-8-16(27(4)5)11-15(19)3/h6-14H,1-5H3,(H,26,29).

What are the key properties of N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)-2-methylphenyl]-6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55780289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).