N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C26H29N5O — CID 55619038

About N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55619038) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55619038
• Molecular Formula: C26H29N5O
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.24
• IUPAC Name: N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCCc3ccc(N(C)C)cc3)c12
• InChI: InChI=1S/C26H29N5O/c1-18-24-22(17-23(20-10-6-5-7-11-20)28-25(24)31(4)29-18)26(32)27-16-8-9-19-12-14-21(15-13-19)30(2)3/h5-7,10-15,17H,8-9,16H2,1-4H3,(H,27,32)
• InChIKey: PWXAZIKPDZUFJX-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55619038) is N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCCCc3ccc(N(C)C)cc3)c12.

What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is PWXAZIKPDZUFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-18-24-22(17-23(20-10-6-5-7-11-20)28-25(24)31(4)29-18)26(32)27-16-8-9-19-12-14-21(15-13-19)30(2)3/h5-7,10-15,17H,8-9,16H2,1-4H3,(H,27,32).

What are the key properties of N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-(dimethylamino)phenyl]propyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55619038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).