6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol

C34H37F3N12O — CID 66698036

About 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol

6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol (PubChem CID 66698036) has the molecular formula C34H37F3N12O and a molecular weight of 686.75 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol.

Molecular Properties

• Compound Name: 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol
• PubChem CID: 66698036
• Molecular Formula: C34H37F3N12O
• Molecular Weight: 686.75 g/mol
• Exact Mass: 686.32
• IUPAC Name: 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol
• SMILES: CN1CCN(c2ccc3nc(C(F)(F)F)c(-c4ccncc4)n3n2)CC1.Cc1nc2ccc(N3CCNC(CO)C3)nn2c1-c1ccncc1
• InChI: InChI=1S/C17H17F3N6.C17H20N6O/c1-24-8-10-25(11-9-24)14-3-2-13-22-16(17(18,19)20)15(26(13)23-14)12-4-6-21-7-5-12;1-12-17(13-4-6-18-7-5-13)23-15(20-12)2-3-16(21-23)22-9-8-19-14(10-22)11-24/h2-7H,8-11H2,1H3;2-7,14,19,24H,8-11H2,1H3
• InChIKey: RIWJBVBBBBNUAN-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 128.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.75
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol?

The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol (CID 66698036) is 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol.

What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol?

The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol is CN1CCN(c2ccc3nc(C(F)(F)F)c(-c4ccncc4)n3n2)CC1.Cc1nc2ccc(N3CCNC(CO)C3)nn2c1-c1ccncc1.

What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol?

The InChIKey is RIWJBVBBBBNUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6.C17H20N6O/c1-24-8-10-25(11-9-24)14-3-2-13-22-16(17(18,19)20)15(26(13)23-14)12-4-6-21-7-5-12;1-12-17(13-4-6-18-7-5-13)23-15(20-12)2-3-16(21-23)22-9-8-19-14(10-22)11-24/h2-7H,8-11H2,1H3;2-7,14,19,24H,8-11H2,1H3.

What are the key properties of 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol?

6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol has a molecular weight of 686.75 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methylpiperazin-1-yl)-3-pyridin-4-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;[4-(2-methyl-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-2-yl]methanol is sourced from PubChem (CID 66698036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).