5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

C26H30N8O — CID 89451008

About 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451008) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89451008
• Molecular Formula: C26H30N8O
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.25
• IUPAC Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCN(C)CC5)nc4)c3c2)c1
• InChI: InChI=1S/C26H30N8O/c1-32(2)17-18-12-20(15-27-14-18)19-4-6-23-22(13-19)25(31-30-23)26(35)29-21-5-7-24(28-16-21)34-10-8-33(3)9-11-34/h4-7,12-16H,8-11,17H2,1-3H3,(H,29,35)(H,30,31)
• InChIKey: LQJRBCHNIPTDEL-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 93.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451008) is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCN(C)CC5)nc4)c3c2)c1.

What is the InChIKey of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is LQJRBCHNIPTDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-32(2)17-18-12-20(15-27-14-18)19-4-6-23-22(13-19)25(31-30-23)26(35)29-21-5-7-24(28-16-21)34-10-8-33(3)9-11-34/h4-7,12-16H,8-11,17H2,1-3H3,(H,29,35)(H,30,31).

What are the key properties of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).