[6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone

C101H112F12N20O13 — CID 158362824

About [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone

[6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone (PubChem CID 158362824) has the molecular formula C101H112F12N20O13 and a molecular weight of 2042.11 g/mol. Its IUPAC name is [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone
• PubChem CID: 158362824
• Molecular Formula: C101H112F12N20O13
• Molecular Weight: 2042.11 g/mol
• Exact Mass: 2040.85
• IUPAC Name: [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone
• SMILES: CC(C)c1cc(C2=CCCCC2)nn2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3(C)C)nc12.CC1(C)CN(C(=O)C2(O)CCC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.CC1(C)CN(C(=O)C2(O)CCOCC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.C[C@H](O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)C(C)(C)C1
• InChI: InChI=1S/C27H37N5O3.C26H27F4N5O4.C25H25F4N5O3.C23H23F4N5O3/c1-18(2)20-15-21(19-9-6-5-7-10-19)29-32-16-22(28-23(20)32)24(33)31-14-13-30(17-26(31,3)4)25(34)27(35)11-8-12-27;1-24(2)15-33(23(37)25(38)7-11-39-12-8-25)9-10-34(24)22(36)20-14-35-21(31-20)18(26(28,29)30)13-19(32-35)16-3-5-17(27)6-4-16;1-23(2)14-32(22(36)24(37)8-3-9-24)10-11-33(23)21(35)19-13-34-20(30-19)17(25(27,28)29)12-18(31-34)15-4-6-16(26)7-5-15;1-13(33)20(34)30-8-9-31(22(2,3)12-30)21(35)18-11-32-19(28-18)16(23(25,26)27)10-17(29-32)14-4-6-15(24)7-5-14/h9,15-16,18,35H,5-8,10-14,17H2,1-4H3;3-6,13-14,38H,7-12,15H2,1-2H3;4-7,12-13,37H,3,8-11,14H2,1-2H3;4-7,10-11,13,33H,8-9,12H2,1-3H3/t;;;13-/m...0/s1
• InChIKey: GTRCSVNQKCACFH-MJCDGFDZSA-N
• XLogP: 13.48
• TPSA: 373.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.11
LogP ≤ 5	13.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone?

The IUPAC name of [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone (CID 158362824) is [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone.

What is the SMILES notation for [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone?

The canonical SMILES for [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone is CC(C)c1cc(C2=CCCCC2)nn2cc(C(=O)N3CCN(C(=O)C4(O)CCC4)CC3(C)C)nc12.CC1(C)CN(C(=O)C2(O)CCC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.CC1(C)CN(C(=O)C2(O)CCOCC2)CCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.C[C@H](O)C(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)C(C)(C)C1.

What is the InChIKey of [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone?

The InChIKey is GTRCSVNQKCACFH-MJCDGFDZSA-N. The full InChI is InChI=1S/C27H37N5O3.C26H27F4N5O4.C25H25F4N5O3.C23H23F4N5O3/c1-18(2)20-15-21(19-9-6-5-7-10-19)29-32-16-22(28-23(20)32)24(33)31-14-13-30(17-26(31,3)4)25(34)27(35)11-8-12-27;1-24(2)15-33(23(37)25(38)7-11-39-12-8-25)9-10-34(24)22(36)20-14-35-21(31-20)18(26(28,29)30)13-19(32-35)16-3-5-17(27)6-4-16;1-23(2)14-32(22(36)24(37)8-3-9-24)10-11-33(23)21(35)19-13-34-20(30-19)17(25(27,28)29)12-18(31-34)15-4-6-16(26)7-5-15;1-13(33)20(34)30-8-9-31(22(2,3)12-30)21(35)18-11-32-19(28-18)16(23(25,26)27)10-17(29-32)14-4-6-15(24)7-5-14/h9,15-16,18,35H,5-8,10-14,17H2,1-4H3;3-6,13-14,38H,7-12,15H2,1-2H3;4-7,12-13,37H,3,8-11,14H2,1-2H3;4-7,10-11,13,33H,8-9,12H2,1-3H3/t;;;13-/m...0/s1.

What are the key properties of [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone?

[6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone has a molecular weight of 2042.11 g/mol, XLogP of 13.48, 13 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(cyclohexen-1-yl)-8-propan-2-ylimidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;(2S)-1-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-2-hydroxypropan-1-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(1-hydroxycyclobutanecarbonyl)-2,2-dimethylpiperazin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(4-hydroxyoxane-4-carbonyl)-2,2-dimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 158362824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).