2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine

C46H38F6N14O3 — CID 165022227

About 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine

2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine (PubChem CID 165022227) has the molecular formula C46H38F6N14O3 and a molecular weight of 948.89 g/mol. Its IUPAC name is 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine.

Molecular Properties

• Compound Name: 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine
• PubChem CID: 165022227
• Molecular Formula: C46H38F6N14O3
• Molecular Weight: 948.89 g/mol
• Exact Mass: 948.32
• IUPAC Name: 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine
• SMILES: Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(=O)[nH]c23)cn1.Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(NCC(F)(F)F)nc23)cn1.NCC(F)(F)F
• InChI: InChI=1S/C23H18F3N7O.C21H16N6O2.C2H4F3N/c1-13-3-4-14(10-27-13)20-21-18(7-8-19(29-21)28-12-23(24,25)26)31-33(22(20)34)16-5-6-17-15(9-16)11-32(2)30-17;1-12-3-4-13(10-22-12)19-20-17(7-8-18(28)23-20)25-27(21(19)29)15-5-6-16-14(9-15)11-26(2)24-16;3-2(4,5)1-6/h3-11H,12H2,1-2H3,(H,28,29);3-11H,1-2H3,(H,23,28);1,6H2
• InChIKey: LIIUQBDHIAQWRR-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 215.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.89
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine?

The IUPAC name of 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine (CID 165022227) is 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine.

What is the SMILES notation for 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine?

The canonical SMILES for 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine is Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(=O)[nH]c23)cn1.Cc1ccc(-c2c(=O)n(-c3ccc4nn(C)cc4c3)nc3ccc(NCC(F)(F)F)nc23)cn1.NCC(F)(F)F.

What is the InChIKey of 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine?

The InChIKey is LIIUQBDHIAQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N7O.C21H16N6O2.C2H4F3N/c1-13-3-4-14(10-27-13)20-21-18(7-8-19(29-21)28-12-23(24,25)26)31-33(22(20)34)16-5-6-17-15(9-16)11-32(2)30-17;1-12-3-4-13(10-22-12)19-20-17(7-8-18(28)23-20)25-27(21(19)29)15-5-6-16-14(9-15)11-26(2)24-16;3-2(4,5)1-6/h3-11H,12H2,1-2H3,(H,28,29);3-11H,1-2H3,(H,23,28);1,6H2.

What are the key properties of 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine?

2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine has a molecular weight of 948.89 g/mol, XLogP of 6.85, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-c]pyridazine-3,6-dione;2-(2-methylindazol-5-yl)-4-(6-methyl-3-pyridinyl)-6-(2,2,2-trifluoroethylamino)pyrido[3,2-c]pyridazin-3-one;2,2,2-trifluoroethanamine is sourced from PubChem (CID 165022227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).