cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

C79H73F12N17O7 — CID 162204864

IUPACcyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESC[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)C1CCCCC1.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)[C@@H]1CCCO1.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C29H23F4N7O2.C26H27F4N5O2.C24H23F4N5O3/c1-17-15-38(11-12-39(17)28(42)24-14-22(35-36-24)18-5-3-2-4-6-18)27(41)25-16-40-26(34-25)21(29(31,32)33)13-23(37-40)19-7-9-20(30)10-8-19;1-16-14-33(11-12-34(16)24(36)18-5-3-2-4-6-18)25(37)22-15-35-23(31-22)20(26(28,29)30)13-21(32-35)17-7-9-19(27)10-8-17;1-14-12-31(8-9-32(14)23(35)20-3-2-10-36-20)22(34)19-13-33-21(29-19)17(24(26,27)28)11-18(30-33)15-4-6-16(25)7-5-15/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,35,36);7-10,13,15-16,18H,2-6,11-12,14H2,1H3;4-7,11,13-14,20H,2-3,8-10,12H2,1H3/t17-;16-;14-,20-/m000/s1
InChIKeyZSBBOFZRYSJZFT-HXHDORPUSA-N
MW1600.54 g/mol
LogP13.14
Rot. Bonds10

About cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (PubChem CID 162204864) has the molecular formula C79H73F12N17O7 and a molecular weight of 1600.54 g/mol. Its IUPAC name is cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
PubChem CID162204864
Molecular FormulaC79H73F12N17O7
Molecular Weight1600.54 g/mol
Exact Mass1599.57
IUPAC Namecyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
SMILESC[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)C1CCCCC1.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)[C@@H]1CCCO1.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C29H23F4N7O2.C26H27F4N5O2.C24H23F4N5O3/c1-17-15-38(11-12-39(17)28(42)24-14-22(35-36-24)18-5-3-2-4-6-18)27(41)25-16-40-26(34-25)21(29(31,32)33)13-23(37-40)19-7-9-20(30)10-8-19;1-16-14-33(11-12-34(16)24(36)18-5-3-2-4-6-18)25(37)22-15-35-23(31-22)20(26(28,29)30)13-21(32-35)17-7-9-19(27)10-8-17;1-14-12-31(8-9-32(14)23(35)20-3-2-10-36-20)22(34)19-13-33-21(29-19)17(24(26,27)28)11-18(30-33)15-4-6-16(25)7-5-15/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,35,36);7-10,13,15-16,18H,2-6,11-12,14H2,1H3;4-7,11,13-14,20H,2-3,8-10,12H2,1H3/t17-;16-;14-,20-/m000/s1
InChIKeyZSBBOFZRYSJZFT-HXHDORPUSA-N
XLogP13.14
TPSA250.34 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001600.54
LogP ≤ 513.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone (CID 162204864) is cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)C1CCCCC1.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)[C@@H]1CCCO1.C[C@H]1CN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CCN1C(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is ZSBBOFZRYSJZFT-HXHDORPUSA-N. The full InChI is InChI=1S/C29H23F4N7O2.C26H27F4N5O2.C24H23F4N5O3/c1-17-15-38(11-12-39(17)28(42)24-14-22(35-36-24)18-5-3-2-4-6-18)27(41)25-16-40-26(34-25)21(29(31,32)33)13-23(37-40)19-7-9-20(30)10-8-19;1-16-14-33(11-12-34(16)24(36)18-5-3-2-4-6-18)25(37)22-15-35-23(31-22)20(26(28,29)30)13-21(32-35)17-7-9-19(27)10-8-17;1-14-12-31(8-9-32(14)23(35)20-3-2-10-36-20)22(34)19-13-33-21(29-19)17(24(26,27)28)11-18(30-33)15-4-6-16(25)7-5-15/h2-10,13-14,16-17H,11-12,15H2,1H3,(H,35,36);7-10,13,15-16,18H,2-6,11-12,14H2,1H3;4-7,11,13-14,20H,2-3,8-10,12H2,1H3/t17-;16-;14-,20-/m000/s1.
What are the key properties of cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone?
cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 1600.54 g/mol, XLogP of 13.14, 10 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-[(2S)-oxolan-2-yl]methanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 162204864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).