5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone

C90H64F15N25O7 — CID 158555735

About 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone

5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone (PubChem CID 158555735) has the molecular formula C90H64F15N25O7 and a molecular weight of 1892.64 g/mol. Its IUPAC name is 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone
• PubChem CID: 158555735
• Molecular Formula: C90H64F15N25O7
• Molecular Weight: 1892.64 g/mol
• Exact Mass: 1891.52
• IUPAC Name: 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone
• SMILES: CC(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccc(C)nn2)nc1.COc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.COc1ccc(Nc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C(C)=O)cn2)nn1.Cc1ccc(-n2c(-c3ccc(C(=O)O)cn3)nc3cc(C(F)(F)F)ccc32)nn1.[C-]#[N+]c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccc(C)nn2)nc1
• InChI: InChI=1S/C20H16F3N5O3.C20H14F3N5O.C19H11F3N6.C19H12F3N5O2.C12H11F3N4O/c1-11(29)12-3-5-15(24-10-12)19(30)26-16-9-13(20(21,22)23)4-6-14(16)25-17-7-8-18(31-2)28-27-17;1-11-3-8-18(27-26-11)28-17-7-5-14(20(21,22)23)9-16(17)25-19(28)15-6-4-13(10-24-15)12(2)29;1-11-3-8-17(27-26-11)28-16-7-4-12(19(20,21)22)9-15(16)25-18(28)14-6-5-13(23-2)10-24-14;1-10-2-7-16(26-25-10)27-15-6-4-12(19(20,21)22)8-14(15)24-17(27)13-5-3-11(9-23-13)18(28)29;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h3-10H,1-2H3,(H,25,27)(H,26,30);3-10H,1-2H3;3-10H,1H3;2-9H,1H3,(H,28,29);2-6H,16H2,1H3,(H,17,18)
• InChIKey: HQGRCLBFSPPJON-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 407.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1892.64
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone?

The IUPAC name of 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone (CID 158555735) is 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone.

What is the SMILES notation for 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone?

The canonical SMILES for 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccc(C)nn2)nc1.COc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.COc1ccc(Nc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C(C)=O)cn2)nn1.Cc1ccc(-n2c(-c3ccc(C(=O)O)cn3)nc3cc(C(F)(F)F)ccc32)nn1.[C-]#[N+]c1ccc(-c2nc3cc(C(F)(F)F)ccc3n2-c2ccc(C)nn2)nc1.

What is the InChIKey of 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone?

The InChIKey is HQGRCLBFSPPJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3.C20H14F3N5O.C19H11F3N6.C19H12F3N5O2.C12H11F3N4O/c1-11(29)12-3-5-15(24-10-12)19(30)26-16-9-13(20(21,22)23)4-6-14(16)25-17-7-8-18(31-2)28-27-17;1-11-3-8-18(27-26-11)28-17-7-5-14(20(21,22)23)9-16(17)25-19(28)15-6-4-13(10-24-15)12(2)29;1-11-3-8-17(27-26-11)28-16-7-4-12(19(20,21)22)9-15(16)25-18(28)14-6-5-13(23-2)10-24-14;1-10-2-7-16(26-25-10)27-15-6-4-12(19(20,21)22)8-14(15)24-17(27)13-5-3-11(9-23-13)18(28)29;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h3-10H,1-2H3,(H,25,27)(H,26,30);3-10H,1-2H3;3-10H,1H3;2-9H,1H3,(H,28,29);2-6H,16H2,1H3,(H,17,18).

What are the key properties of 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone?

5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone has a molecular weight of 1892.64 g/mol, XLogP of 19.99, 17 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-acetyl-N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;2-(5-isocyano-2-pyridinyl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-3-carboxylic acid;1-[6-[1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazol-2-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 158555735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).