5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H26N6O2 — CID 89450537

About 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450537) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450537
• Molecular Formula: C28H26N6O2
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.21
• IUPAC Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN(C)C)c5)cc34)cn2)c1
• InChI: InChI=1S/C28H26N6O2/c1-18-5-4-6-23(11-18)36-26-10-8-22(16-30-26)31-28(35)27-24-13-20(7-9-25(24)32-33-27)21-12-19(14-29-15-21)17-34(2)3/h4-16H,17H2,1-3H3,(H,31,35)(H,32,33)
• InChIKey: WUDNIDSVOWIHMW-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450537) is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is Cc1cccc(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN(C)C)c5)cc34)cn2)c1.

What is the InChIKey of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is WUDNIDSVOWIHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-18-5-4-6-23(11-18)36-26-10-8-22(16-30-26)31-28(35)27-24-13-20(7-9-25(24)32-33-27)21-12-19(14-29-15-21)17-34(2)3/h4-16H,17H2,1-3H3,(H,31,35)(H,32,33).

What are the key properties of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).