1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone

C105H91F20N21O8 — CID 157135017

IUPAC1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCC(C)(O)C1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)C1.CC1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCC1O.C[C@H]1CCCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCCCC1c1ccncc1.O=C1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1
InChIInChI=1S/C24H19F4N5O.C22H22F4N4O2.C20H18F4N4O2.C20H18F4N4O.C19H14F4N4O2/c25-17-6-4-15(5-7-17)19-13-18(24(26,27)28)22-30-20(14-33(22)31-19)23(34)32-12-2-1-3-21(32)16-8-10-29-11-9-16;1-21(2,32)14-4-3-9-29(11-14)20(31)18-12-30-19(27-18)16(22(24,25)26)10-17(28-30)13-5-7-15(23)8-6-13;1-11-9-27(7-6-17(11)29)19(30)16-10-28-18(25-16)14(20(22,23)24)8-15(26-28)12-2-4-13(21)5-3-12;1-12-4-2-3-9-27(12)19(29)17-11-28-18(25-17)15(20(22,23)24)10-16(26-28)13-5-7-14(21)8-6-13;20-12-3-1-11(2-4-12)15-9-14(19(21,22)23)17-24-16(10-27(17)25-15)18(29)26-7-5-13(28)6-8-26/h4-11,13-14,21H,1-3,12H2;5-8,10,12,14,32H,3-4,9,11H2,1-2H3;2-5,8,10-11,17,29H,6-7,9H2,1H3;5-8,10-12H,2-4,9H2,1H3;1-4,9-10H,5-8H2/t;;;12-;/m...0./s1
InChIKeyAJNFGMDHDIAPTB-QINXOZADSA-N
MW2154.98 g/mol
LogP20.82
Rot. Bonds12

About 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone

1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 157135017) has the molecular formula C105H91F20N21O8 and a molecular weight of 2154.98 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID157135017
Molecular FormulaC105H91F20N21O8
Molecular Weight2154.98 g/mol
Exact Mass2153.70
IUPAC Name1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone
SMILESCC(C)(O)C1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)C1.CC1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCC1O.C[C@H]1CCCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCCCC1c1ccncc1.O=C1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1
InChIInChI=1S/C24H19F4N5O.C22H22F4N4O2.C20H18F4N4O2.C20H18F4N4O.C19H14F4N4O2/c25-17-6-4-15(5-7-17)19-13-18(24(26,27)28)22-30-20(14-33(22)31-19)23(34)32-12-2-1-3-21(32)16-8-10-29-11-9-16;1-21(2,32)14-4-3-9-29(11-14)20(31)18-12-30-19(27-18)16(22(24,25)26)10-17(28-30)13-5-7-15(23)8-6-13;1-11-9-27(7-6-17(11)29)19(30)16-10-28-18(25-16)14(20(22,23)24)8-15(26-28)12-2-4-13(21)5-3-12;1-12-4-2-3-9-27(12)19(29)17-11-28-18(25-17)15(20(22,23)24)10-16(26-28)13-5-7-14(21)8-6-13;20-12-3-1-11(2-4-12)15-9-14(19(21,22)23)17-24-16(10-27(17)25-15)18(29)26-7-5-13(28)6-8-26/h4-11,13-14,21H,1-3,12H2;5-8,10,12,14,32H,3-4,9,11H2,1-2H3;2-5,8,10-11,17,29H,6-7,9H2,1H3;5-8,10-12H,2-4,9H2,1H3;1-4,9-10H,5-8H2/t;;;12-;/m...0./s1
InChIKeyAJNFGMDHDIAPTB-QINXOZADSA-N
XLogP20.82
TPSA322.92 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002154.98
LogP ≤ 520.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone (CID 157135017) is 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone is CC(C)(O)C1CCCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)C1.CC1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCC1O.C[C@H]1CCCCN1C(=O)c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCCCC1c1ccncc1.O=C1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is AJNFGMDHDIAPTB-QINXOZADSA-N. The full InChI is InChI=1S/C24H19F4N5O.C22H22F4N4O2.C20H18F4N4O2.C20H18F4N4O.C19H14F4N4O2/c25-17-6-4-15(5-7-17)19-13-18(24(26,27)28)22-30-20(14-33(22)31-19)23(34)32-12-2-1-3-21(32)16-8-10-29-11-9-16;1-21(2,32)14-4-3-9-29(11-14)20(31)18-12-30-19(27-18)16(22(24,25)26)10-17(28-30)13-5-7-15(23)8-6-13;1-11-9-27(7-6-17(11)29)19(30)16-10-28-18(25-16)14(20(22,23)24)8-15(26-28)12-2-4-13(21)5-3-12;1-12-4-2-3-9-27(12)19(29)17-11-28-18(25-17)15(20(22,23)24)10-16(26-28)13-5-7-14(21)8-6-13;20-12-3-1-11(2-4-12)15-9-14(19(21,22)23)17-24-16(10-27(17)25-15)18(29)26-7-5-13(28)6-8-26/h4-11,13-14,21H,1-3,12H2;5-8,10,12,14,32H,3-4,9,11H2,1-2H3;2-5,8,10-11,17,29H,6-7,9H2,1H3;5-8,10-12H,2-4,9H2,1H3;1-4,9-10H,5-8H2/t;;;12-;/m...0./s1.
What are the key properties of 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone?
1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 2154.98 g/mol, XLogP of 20.82, 12 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperidin-4-one;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(2S)-2-methylpiperidin-1-yl]methanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-(2-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 157135017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).