N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

C26H18N4O4 — CID 89451156

About N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89451156) has the molecular formula C26H18N4O4 and a molecular weight of 450.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 89451156
• Molecular Formula: C26H18N4O4
• Molecular Weight: 450.45 g/mol
• Exact Mass: 450.13
• IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCO2)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12
• InChI: InChI=1S/C26H18N4O4/c31-26(28-18-7-9-23-24(12-18)33-15-32-23)25-21-11-16(6-8-22(21)29-30-25)17-10-20(14-27-13-17)34-19-4-2-1-3-5-19/h1-14H,15H2,(H,28,31)(H,29,30)
• InChIKey: AKLAOLOCMMHXMO-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 98.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.45
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89451156) is N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12.

What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is AKLAOLOCMMHXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O4/c31-26(28-18-7-9-23-24(12-18)33-15-32-23)25-21-11-16(6-8-22(21)29-30-25)17-10-20(14-27-13-17)34-19-4-2-1-3-5-19/h1-14H,15H2,(H,28,31)(H,29,30).

What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide?

N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).