N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide

C26H34N8O — CID 135992290

About N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide

N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide (PubChem CID 135992290) has the molecular formula C26H34N8O and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide
• PubChem CID: 135992290
• Molecular Formula: C26H34N8O
• Molecular Weight: 474.61 g/mol
• Exact Mass: 474.29
• IUPAC Name: N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide
• SMILES: CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)CCCN(C)C)[nH]4)c3c2)c1C
• InChI: InChI=1S/C26H34N8O/c1-6-27-13-19-14-28-15-21(17(19)2)18-8-9-22-20(12-18)24(32-31-22)25-29-16-23(30-25)26(35)34(5)11-7-10-33(3)4/h8-9,12,14-16,27H,6-7,10-11,13H2,1-5H3,(H,29,30)(H,31,32)
• InChIKey: ORIXOPKLZBNHNK-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 105.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.61
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide (CID 135992290) is N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)CCCN(C)C)[nH]4)c3c2)c1C.

What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide?

The InChIKey is ORIXOPKLZBNHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O/c1-6-27-13-19-14-28-15-21(17(19)2)18-8-9-22-20(12-18)24(32-31-22)25-29-16-23(30-25)26(35)34(5)11-7-10-33(3)4/h8-9,12,14-16,27H,6-7,10-11,13H2,1-5H3,(H,29,30)(H,31,32).

What are the key properties of N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide?

N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.46, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135992290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).