N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole

C48H37F9N14O6 — CID 158437786

About N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole

N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole (PubChem CID 158437786) has the molecular formula C48H37F9N14O6 and a molecular weight of 1076.90 g/mol. Its IUPAC name is N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole.

Molecular Properties

• Compound Name: N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
• PubChem CID: 158437786
• Molecular Formula: C48H37F9N14O6
• Molecular Weight: 1076.90 g/mol
• Exact Mass: 1076.29
• IUPAC Name: N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole
• SMILES: COc1ccc(Nc2ccc(OC(F)(F)F)cc2N)nn1.COc1ccc(Nc2ccc(OC(F)(F)F)cc2NC(=O)c2ccccn2)nn1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(OC(F)(F)F)ccc32)nn1
• InChI: InChI=1S/C18H14F3N5O3.C18H12F3N5O.C12H11F3N4O2/c1-28-16-8-7-15(25-26-16)23-12-6-5-11(29-18(19,20)21)10-14(12)24-17(27)13-4-2-3-9-22-13;1-11-5-8-16(25-24-11)26-15-7-6-12(27-18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)21-12(13,14)15/h2-10H,1H3,(H,23,25)(H,24,27);2-10H,1H3;2-6H,16H2,1H3,(H,17,18)
• InChIKey: HCLFXOBLINEZMN-UHFFFAOYSA-N
• XLogP: 10.57
• TPSA: 246.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1076.90
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?

The IUPAC name of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole (CID 158437786) is N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole.

What is the SMILES notation for N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?

The canonical SMILES for N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole is COc1ccc(Nc2ccc(OC(F)(F)F)cc2N)nn1.COc1ccc(Nc2ccc(OC(F)(F)F)cc2NC(=O)c2ccccn2)nn1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(OC(F)(F)F)ccc32)nn1.

What is the InChIKey of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?

The InChIKey is HCLFXOBLINEZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O3.C18H12F3N5O.C12H11F3N4O2/c1-28-16-8-7-15(25-26-16)23-12-6-5-11(29-18(19,20)21)10-14(12)24-17(27)13-4-2-3-9-22-13;1-11-5-8-16(25-24-11)26-15-7-6-12(27-18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)21-12(13,14)15/h2-10H,1H3,(H,23,25)(H,24,27);2-10H,1H3;2-6H,16H2,1H3,(H,17,18).

What are the key properties of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole?

N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole has a molecular weight of 1076.90 g/mol, XLogP of 10.57, 13 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethoxy)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethoxy)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 158437786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).