2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide

C23H15Cl2N5O2 — CID 10115743

About 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide

2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide (PubChem CID 10115743) has the molecular formula C23H15Cl2N5O2 and a molecular weight of 464.31 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide
• PubChem CID: 10115743
• Molecular Formula: C23H15Cl2N5O2
• Molecular Weight: 464.31 g/mol
• Exact Mass: 463.06
• IUPAC Name: 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide
• SMILES: Cc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4cc(Cl)nc(Cl)c4)cc3)oc2c1
• InChI: InChI=1S/C23H15Cl2N5O2/c1-12-2-7-17-18(8-12)32-23(28-17)16-11-26-30-21(16)13-3-5-15(6-4-13)27-22(31)14-9-19(24)29-20(25)10-14/h2-11H,1H3,(H,26,30)(H,27,31)
• InChIKey: LDJBOBLOWCJHRQ-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 96.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.31
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide?

The IUPAC name of 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide (CID 10115743) is 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide is Cc1ccc2nc(-c3cn[nH]c3-c3ccc(NC(=O)c4cc(Cl)nc(Cl)c4)cc3)oc2c1.

What is the InChIKey of 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide?

The InChIKey is LDJBOBLOWCJHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N5O2/c1-12-2-7-17-18(8-12)32-23(28-17)16-11-26-30-21(16)13-3-5-15(6-4-13)27-22(31)14-9-19(24)29-20(25)10-14/h2-11H,1H3,(H,26,30)(H,27,31).

What are the key properties of 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide?

2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 464.31 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[4-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 10115743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).