2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide

C28H24N8O — CID 136995231

About 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide

2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide (PubChem CID 136995231) has the molecular formula C28H24N8O and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide
• PubChem CID: 136995231
• Molecular Formula: C28H24N8O
• Molecular Weight: 488.56 g/mol
• Exact Mass: 488.21
• IUPAC Name: 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide
• SMILES: CC(C)C(=O)N(N)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C28H24N8O/c1-16(2)28(37)36(29)20-10-19(12-30-13-20)18-8-9-23-21(11-18)26(35-34-23)27-32-24-15-31-14-22(25(24)33-27)17-6-4-3-5-7-17/h3-16H,29H2,1-2H3,(H,32,33)(H,34,35)
• InChIKey: RUEQGWHIWFYALA-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 129.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.56
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide?

The IUPAC name of 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide (CID 136995231) is 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide.

What is the SMILES notation for 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide?

The canonical SMILES for 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide is CC(C)C(=O)N(N)c1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccccc6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide?

The InChIKey is RUEQGWHIWFYALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-16(2)28(37)36(29)20-10-19(12-30-13-20)18-8-9-23-21(11-18)26(35-34-23)27-32-24-15-31-14-22(25(24)33-27)17-6-4-3-5-7-17/h3-16H,29H2,1-2H3,(H,32,33)(H,34,35).

What are the key properties of 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide?

2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide has a molecular weight of 488.56 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-[3-(7-phenyl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanehydrazide is sourced from PubChem (CID 136995231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).