tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

C71H70F12N18O6 — CID 159809163

IUPACtert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.CC(C)(C)OC(=O)CN1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C24H24F4N6O2.C24H25F4N5O3.C23H21F4N7O/c1-14(22(35)29-17-6-7-17)32-8-10-33(11-9-32)23(36)20-13-34-21(30-20)18(24(26,27)28)12-19(31-34)15-2-4-16(25)5-3-15;1-23(2,3)36-20(34)14-31-8-10-32(11-9-31)22(35)19-13-33-21(29-19)17(24(26,27)28)12-18(30-33)15-4-6-16(25)7-5-15;24-17-3-1-16(2-4-17)19-13-18(23(25,26)27)21-29-20(14-34(21)30-19)22(35)33-11-9-31(10-12-33)7-8-32-6-5-28-15-32/h2-5,12-14,17H,6-11H2,1H3,(H,29,35);4-7,12-13H,8-11,14H2,1-3H3;1-6,13-15H,7-12H2
InChIKeyNKUGPUPPRQNDPA-UHFFFAOYSA-N
MW1499.44 g/mol
LogP9.84
Rot. Bonds14

About tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 159809163) has the molecular formula C71H70F12N18O6 and a molecular weight of 1499.44 g/mol. Its IUPAC name is tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nametert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID159809163
Molecular FormulaC71H70F12N18O6
Molecular Weight1499.44 g/mol
Exact Mass1498.55
IUPAC Nametert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.CC(C)(C)OC(=O)CN1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C24H24F4N6O2.C24H25F4N5O3.C23H21F4N7O/c1-14(22(35)29-17-6-7-17)32-8-10-33(11-9-32)23(36)20-13-34-21(30-20)18(24(26,27)28)12-19(31-34)15-2-4-16(25)5-3-15;1-23(2,3)36-20(34)14-31-8-10-32(11-9-31)22(35)19-13-33-21(29-19)17(24(26,27)28)12-18(30-33)15-4-6-16(25)7-5-15;24-17-3-1-16(2-4-17)19-13-18(23(25,26)27)21-29-20(14-34(21)30-19)22(35)33-11-9-31(10-12-33)7-8-32-6-5-28-15-32/h2-5,12-14,17H,6-11H2,1H3,(H,29,35);4-7,12-13H,8-11,14H2,1-3H3;1-6,13-15H,7-12H2
InChIKeyNKUGPUPPRQNDPA-UHFFFAOYSA-N
XLogP9.84
TPSA234.44 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001499.44
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N-(6-(4-(4-fluorophenyl)-1-(2-morpholinoethyl)-1H-imidazol-5-yl)imidazo[1,2-b] pyridazin-2-yl)-2-morpholinoisonicotinamide
CID 76282806
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-morpholinoisonicotinamide
CID 90246037
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(2-morpholinoacetyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538744
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-morpholinoisonicotinamide
CID 118538923
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1,1-(2-morpholinoethyl) piperidin-4-yl)-1H-imidazol-5-yl)imidazo [1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118547763
N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605216
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56942016
N-[(1R,3S)-3-[[3,5-difluoro-6-(5-fluoro-1-tritylpyrazolo[5,4-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-1-methylimidazole-4-carboxamide
CID 57388167
tert-butyl 4-[[6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 66684929
tert-butyl 4-[[6-[(4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidine-1-carboxylate
CID 68090759
4-[(1R,5S)-3-[7-amino-3-[6-(2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carbonyl]-N'-[3-(dimethylamino)propyl]-N-ethyltriazole-2-carboximidamide
CID 68273689
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 76468580

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (CID 159809163) is tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is CC(C(=O)NC1CC1)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.CC(C)(C)OC(=O)CN1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(F)(F)F)c3n2)CC1.O=C(c1cn2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2n1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is NKUGPUPPRQNDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N6O2.C24H25F4N5O3.C23H21F4N7O/c1-14(22(35)29-17-6-7-17)32-8-10-33(11-9-32)23(36)20-13-34-21(30-20)18(24(26,27)28)12-19(31-34)15-2-4-16(25)5-3-15;1-23(2,3)36-20(34)14-31-8-10-32(11-9-31)22(35)19-13-33-21(29-19)17(24(26,27)28)12-18(30-33)15-4-6-16(25)7-5-15;24-17-3-1-16(2-4-17)19-13-18(23(25,26)27)21-29-20(14-34(21)30-19)22(35)33-11-9-31(10-12-33)7-8-32-6-5-28-15-32/h2-5,12-14,17H,6-11H2,1H3,(H,29,35);4-7,12-13H,8-11,14H2,1-3H3;1-6,13-15H,7-12H2.
What are the key properties of tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 1499.44 g/mol, XLogP of 9.84, 14 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]acetate;N-cyclopropyl-2-[4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]piperazin-1-yl]propanamide;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159809163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).