6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide

C27H30N8O — CID 123435555

About 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide

6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 123435555) has the molecular formula C27H30N8O and a molecular weight of 482.59 g/mol. Its IUPAC name is 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 123435555
• Molecular Formula: C27H30N8O
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.25
• IUPAC Name: 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide
• SMILES: CCc1ccc(C)nc1Nc1nc2cc(N(CC)CC)c(C(=O)Nc3ccc4cn[nH]c4c3)cc2[nH]1
• InChI: InChI=1S/C27H30N8O/c1-5-17-9-8-16(4)29-25(17)33-27-31-22-13-20(24(14-23(22)32-27)35(6-2)7-3)26(36)30-19-11-10-18-15-28-34-21(18)12-19/h8-15H,5-7H2,1-4H3,(H,28,34)(H,30,36)(H2,29,31,32,33)
• InChIKey: KFYMPXUJZIUONK-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 114.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide (CID 123435555) is 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide is CCc1ccc(C)nc1Nc1nc2cc(N(CC)CC)c(C(=O)Nc3ccc4cn[nH]c4c3)cc2[nH]1.

What is the InChIKey of 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide?

The InChIKey is KFYMPXUJZIUONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O/c1-5-17-9-8-16(4)29-25(17)33-27-31-22-13-20(24(14-23(22)32-27)35(6-2)7-3)26(36)30-19-11-10-18-15-28-34-21(18)12-19/h8-15H,5-7H2,1-4H3,(H,28,34)(H,30,36)(H2,29,31,32,33).

What are the key properties of 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide?

6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 5.55, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(diethylamino)-2-[(3-ethyl-6-methyl-2-pyridinyl)amino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 123435555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).