5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C24H22BrN7O — CID 170074483

About 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170074483) has the molecular formula C24H22BrN7O and a molecular weight of 504.39 g/mol. Its IUPAC name is 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170074483
• Molecular Formula: C24H22BrN7O
• Molecular Weight: 504.39 g/mol
• Exact Mass: 503.11
• IUPAC Name: 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1cccc(N/C(=C\C(N)=N\Cc2ccc(Br)cc2)c2ccn3ncc(C(N)=O)c3c2)n1
• InChI: InChI=1S/C24H22BrN7O/c1-15-3-2-4-23(30-15)31-20(12-22(26)28-13-16-5-7-18(25)8-6-16)17-9-10-32-21(11-17)19(14-29-32)24(27)33/h2-12,14H,13H2,1H3,(H2,26,28)(H2,27,33)(H,30,31)/b20-12-
• InChIKey: RFOWVHNCXNQXDE-NDENLUEZSA-N
• XLogP: 3.91
• TPSA: 123.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.39
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170074483) is 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cccc(N/C(=C\C(N)=N\Cc2ccc(Br)cc2)c2ccn3ncc(C(N)=O)c3c2)n1.

What is the InChIKey of 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is RFOWVHNCXNQXDE-NDENLUEZSA-N. The full InChI is InChI=1S/C24H22BrN7O/c1-15-3-2-4-23(30-15)31-20(12-22(26)28-13-16-5-7-18(25)8-6-16)17-9-10-32-21(11-17)19(14-29-32)24(27)33/h2-12,14H,13H2,1H3,(H2,26,28)(H2,27,33)(H,30,31)/b20-12-.

What are the key properties of 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 504.39 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(Z)-3-amino-3-[(4-bromophenyl)methylimino]-1-[(6-methyl-2-pyridinyl)amino]prop-1-enyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170074483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).