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

C174H162F12N36O17 — CID 157146831

IUPAC4-(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
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)cnc2C)cc1C1(C)COC1.CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1(C)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)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.C26H28N6O3.C26H27N5O3.C24H21F3N6O2.C24H23F3N4O3.C24H19F3N4O2.C23H18F3N5O2/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;1-6-35-24-21(26(5)14-34-15-26)7-17(10-29-24)20-9-19(12-28-16(20)2)31-23(33)18-8-22(32-30-11-18)25(3,4)13-27;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;1-13-18(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;1-4-34-22-19(23(3)12-33-13-23)7-15(10-28-22)18-9-17(6-5-14(18)2)30-21(32)16-8-20(24(25,26)27)31-29-11-16;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/h5-13H,15-16H2,1-4H3,(H,31,34);7-12H,6,14-15H2,1-5H3,(H,31,33);5-13,33H,14-15H2,1-4H3,(H,29,32);2-8,10,16H,9,11-12,28H2,1H3,(H,31,34);5-11H,4,12-13H2,1-3H3,(H,30,32);2-11,16H,12-13H2,1H3,(H,29,32);2-10,15H,11-12H2,1H3,(H,29,32)
InChIKeyAKUMJSHBYIBPRO-UHFFFAOYSA-N
MW3257.42 g/mol
LogP30.61
Rot. Bonds36

About 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

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 (PubChem CID 157146831) has the molecular formula C174H162F12N36O17 and a molecular weight of 3257.42 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;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.

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;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
PubChem CID157146831
Molecular FormulaC174H162F12N36O17
Molecular Weight3257.42 g/mol
Exact Mass3255.27
IUPAC Name4-(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
SMILESCCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)cnc2C)cc1C1(C)COC1.CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1(C)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)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.C26H28N6O3.C26H27N5O3.C24H21F3N6O2.C24H23F3N4O3.C24H19F3N4O2.C23H18F3N5O2/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;1-6-35-24-21(26(5)14-34-15-26)7-17(10-29-24)20-9-19(12-28-16(20)2)31-23(33)18-8-22(32-30-11-18)25(3,4)13-27;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;1-13-18(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;1-4-34-22-19(23(3)12-33-13-23)7-15(10-28-22)18-9-17(6-5-14(18)2)30-21(32)16-8-20(24(25,26)27)31-29-11-16;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/h5-13H,15-16H2,1-4H3,(H,31,34);7-12H,6,14-15H2,1-5H3,(H,31,33);5-13,33H,14-15H2,1-4H3,(H,29,32);2-8,10,16H,9,11-12,28H2,1H3,(H,31,34);5-11H,4,12-13H2,1-3H3,(H,30,32);2-11,16H,12-13H2,1H3,(H,29,32);2-10,15H,11-12H2,1H3,(H,29,32)
InChIKeyAKUMJSHBYIBPRO-UHFFFAOYSA-N
XLogP30.61
TPSA673.34 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds36
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003257.42
LogP ≤ 530.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Analyze 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 with MolForge

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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;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?
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;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) is 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.
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;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?
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;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 is CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(C)(C)C#N)c3)cnc2C)cc1C1(C)COC1.CCOc1ncc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1(C)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)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;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?
The InChIKey is AKUMJSHBYIBPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C26H28N6O3.C26H27N5O3.C24H21F3N6O2.C24H23F3N4O3.C24H19F3N4O2.C23H18F3N5O2/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;1-6-35-24-21(26(5)14-34-15-26)7-17(10-29-24)20-9-19(12-28-16(20)2)31-23(33)18-8-22(32-30-11-18)25(3,4)13-27;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;1-13-18(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;1-4-34-22-19(23(3)12-33-13-23)7-15(10-28-22)18-9-17(6-5-14(18)2)30-21(32)16-8-20(24(25,26)27)31-29-11-16;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/h5-13H,15-16H2,1-4H3,(H,31,34);7-12H,6,14-15H2,1-5H3,(H,31,33);5-13,33H,14-15H2,1-4H3,(H,29,32);2-8,10,16H,9,11-12,28H2,1H3,(H,31,34);5-11H,4,12-13H2,1-3H3,(H,30,32);2-11,16H,12-13H2,1H3,(H,29,32);2-10,15H,11-12H2,1H3,(H,29,32).
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;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?
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 has a molecular weight of 3257.42 g/mol, XLogP of 30.61, 36 rotatable bonds, 9 hydrogen bond donors, and 46 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;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 is sourced from PubChem (CID 157146831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).