4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C172H157F13N32O18 — CID 159118304

IUPAC4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(O)COC1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(C)COC2)c2nccn2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2COC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(C2(C)COC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1
InChIInChI=1S/C27H26N6O2.C26H27N5O3.C25H26FN3O3.C24H21F3N6O2.C24H19F3N4O2.C23H18F3N5O2.C23H20F3N3O4/c1-17-5-6-19(31-25(34)18-7-8-29-23(11-18)26(2,3)14-28)12-20(17)22-13-21(27(4)15-35-16-27)24-30-9-10-33(24)32-22;1-16-5-6-18(29-24(32)17-7-8-27-22(11-17)25(2,3)33)12-19(16)21-13-20(26(4)14-34-15-26)23-28-9-10-31(23)30-21;1-15-5-6-19(28-23(30)16-7-8-27-22(10-16)25(2,3)26)11-20(15)17-9-21(18-13-32-14-18)24(31)29(4)12-17;1-13-18(21-8-19(16-11-35-12-16)22-29-4-5-33(22)32-21)7-17(10-30-13)31-23(34)14-2-3-15(9-28)20(6-14)24(25,26)27;1-14-5-6-18(29-23(32)15-3-2-4-17(9-15)24(25,26)27)10-19(14)21-11-20(16-12-33-13-16)22-28-7-8-31(22)30-21;1-13-18(20-9-19(15-11-33-12-15)21-27-5-6-31(21)30-20)8-17(10-28-13)29-22(32)14-3-2-4-16(7-14)23(24,25)26;1-13-18(15-7-19(21(32-2)28-9-15)22(31)11-33-12-22)8-17(10-27-13)29-20(30)14-4-3-5-16(6-14)23(24,25)26/h5-13H,15-16H2,1-4H3,(H,31,34);5-13,33H,14-15H2,1-4H3,(H,29,32);5-12,18H,13-14H2,1-4H3,(H,28,30);2-8,10,16H,9,11-12,28H2,1H3,(H,31,34);2-11,16H,12-13H2,1H3,(H,29,32);2-10,15H,11-12H2,1H3,(H,29,32);3-10,31H,11-12H2,1-2H3,(H,29,30)
InChIKeyKFIZZOSJZRFNGV-UHFFFAOYSA-N
MW3207.33 g/mol
LogP30.10
Rot. Bonds33

About 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 159118304) has the molecular formula C172H157F13N32O18 and a molecular weight of 3207.33 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID159118304
Molecular FormulaC172H157F13N32O18
Molecular Weight3207.33 g/mol
Exact Mass3205.21
IUPAC Name4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(O)COC1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(C)COC2)c2nccn2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2COC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(C2(C)COC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1
InChIInChI=1S/C27H26N6O2.C26H27N5O3.C25H26FN3O3.C24H21F3N6O2.C24H19F3N4O2.C23H18F3N5O2.C23H20F3N3O4/c1-17-5-6-19(31-25(34)18-7-8-29-23(11-18)26(2,3)14-28)12-20(17)22-13-21(27(4)15-35-16-27)24-30-9-10-33(24)32-22;1-16-5-6-18(29-24(32)17-7-8-27-22(11-17)25(2,3)33)12-19(16)21-13-20(26(4)14-34-15-26)23-28-9-10-31(23)30-21;1-15-5-6-19(28-23(30)16-7-8-27-22(10-16)25(2,3)26)11-20(15)17-9-21(18-13-32-14-18)24(31)29(4)12-17;1-13-18(21-8-19(16-11-35-12-16)22-29-4-5-33(22)32-21)7-17(10-30-13)31-23(34)14-2-3-15(9-28)20(6-14)24(25,26)27;1-14-5-6-18(29-23(32)15-3-2-4-17(9-15)24(25,26)27)10-19(14)21-11-20(16-12-33-13-16)22-28-7-8-31(22)30-21;1-13-18(20-9-19(15-11-33-12-15)21-27-5-6-31(21)30-20)8-17(10-28-13)29-22(32)14-3-2-4-16(7-14)23(24,25)26;1-13-18(15-7-19(21(32-2)28-9-15)22(31)11-33-12-22)8-17(10-27-13)29-20(30)14-4-3-5-16(6-14)23(24,25)26/h5-13H,15-16H2,1-4H3,(H,31,34);5-13,33H,14-15H2,1-4H3,(H,29,32);5-12,18H,13-14H2,1-4H3,(H,28,30);2-8,10,16H,9,11-12,28H2,1H3,(H,31,34);2-11,16H,12-13H2,1H3,(H,29,32);2-10,15H,11-12H2,1H3,(H,29,32);3-10,31H,11-12H2,1-2H3,(H,29,30)
InChIKeyKFIZZOSJZRFNGV-UHFFFAOYSA-N
XLogP30.10
TPSA630.99 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003207.33
LogP ≤ 530.10
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;6-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(3-methyloxetan-3-yl)-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 157146831
CID 158526333
CID 158526333
2-[2-(difluoromethoxy)-3-pyridinyl]-4-(methylamino)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(2-hydroxypropan-2-yl)phenyl]-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-2-(2-propan-2-ylphenyl)-9-[[4-(3H-pyrrol-2-yl)phenyl]methyl]purin-8-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propanoylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[8-oxo-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-7-yl]propanoic acid
CID 158637672
2-(1-cyanocyclopropyl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridazine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159284945
CID 160617981
CID 160617981
CID 160684081
CID 160684081
CID 157930375
CID 157930375

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 159118304) is 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is COc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(O)COC1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(C2(C)COC2)c2nccn2n1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cc(C2COC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(C2(C)COC2)c2nccn2n1.Cc1ncc(NC(=O)c2ccc(CN)c(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(C2COC2)c2nccn2n1.
What is the InChIKey of 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is KFIZZOSJZRFNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C26H27N5O3.C25H26FN3O3.C24H21F3N6O2.C24H19F3N4O2.C23H18F3N5O2.C23H20F3N3O4/c1-17-5-6-19(31-25(34)18-7-8-29-23(11-18)26(2,3)14-28)12-20(17)22-13-21(27(4)15-35-16-27)24-30-9-10-33(24)32-22;1-16-5-6-18(29-24(32)17-7-8-27-22(11-17)25(2,3)33)12-19(16)21-13-20(26(4)14-34-15-26)23-28-9-10-31(23)30-21;1-15-5-6-19(28-23(30)16-7-8-27-22(10-16)25(2,3)26)11-20(15)17-9-21(18-13-32-14-18)24(31)29(4)12-17;1-13-18(21-8-19(16-11-35-12-16)22-29-4-5-33(22)32-21)7-17(10-30-13)31-23(34)14-2-3-15(9-28)20(6-14)24(25,26)27;1-14-5-6-18(29-23(32)15-3-2-4-17(9-15)24(25,26)27)10-19(14)21-11-20(16-12-33-13-16)22-28-7-8-31(22)30-21;1-13-18(20-9-19(15-11-33-12-15)21-27-5-6-31(21)30-20)8-17(10-28-13)29-22(32)14-3-2-4-16(7-14)23(24,25)26;1-13-18(15-7-19(21(32-2)28-9-15)22(31)11-33-12-22)8-17(10-27-13)29-20(30)14-4-3-5-16(6-14)23(24,25)26/h5-13H,15-16H2,1-4H3,(H,31,34);5-13,33H,14-15H2,1-4H3,(H,29,32);5-12,18H,13-14H2,1-4H3,(H,28,30);2-8,10,16H,9,11-12,28H2,1H3,(H,31,34);2-11,16H,12-13H2,1H3,(H,29,32);2-10,15H,11-12H2,1H3,(H,29,32);3-10,31H,11-12H2,1-2H3,(H,29,30).
What are the key properties of 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 3207.33 g/mol, XLogP of 30.10, 33 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxetan-3-yl)-6-oxo-3-pyridinyl]phenyl]pyridine-4-carboxamide;N-[5-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[8-(3-methyloxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]pyridine-4-carboxamide;N-[4-methyl-3-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-(oxetan-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159118304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).