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

C22H19N7O — CID 89450447

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

N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450447) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450447
• Molecular Formula: C22H19N7O
• Molecular Weight: 397.44 g/mol
• Exact Mass: 397.17
• IUPAC Name: N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)nc4)c3c2)c1
• InChI: InChI=1S/C22H19N7O/c1-29(2)13-14-7-16(11-24-10-14)15-3-6-20-19(8-15)21(28-27-20)22(30)26-18-5-4-17(9-23)25-12-18/h3-8,10-12H,13H2,1-2H3,(H,26,30)(H,27,28)
• InChIKey: OICPHEKRFAQFNC-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 110.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.44
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450447) is N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)nc4)c3c2)c1.

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

The InChIKey is OICPHEKRFAQFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-29(2)13-14-7-16(11-24-10-14)15-3-6-20-19(8-15)21(28-27-20)22(30)26-18-5-4-17(9-23)25-12-18/h3-8,10-12H,13H2,1-2H3,(H,26,30)(H,27,28).

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

N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyano-3-pyridinyl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).