5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C153H157ClF13N27O18 — CID 157421639

IUPAC5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(Cl)cn3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C#N)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C4(C(F)(F)F)CC4)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1
InChIInChI=1S/C28H29F3N4O3.C27H31FN4O3.C25H24ClF3N4O3.C25H25N5O3.2C24H24F3N5O3/c1-3-38-26-22(18-7-12-37-13-8-18)16-23(34-35-26)21-15-20(5-4-17(21)2)33-25(36)19-6-11-32-24(14-19)27(9-10-27)28(29,30)31;1-5-35-26-22(18-9-12-34-13-10-18)16-23(31-32-26)21-15-20(7-6-17(21)2)30-25(33)19-8-11-29-24(14-19)27(3,4)28;1-3-36-24-18(15-6-8-35-9-7-15)11-21(32-33-24)17-10-16(5-4-14(17)2)31-23(34)22-12-19(25(27,28)29)20(26)13-30-22;1-3-33-25-22(17-7-10-32-11-8-17)14-23(29-30-25)21-13-19(5-4-16(21)2)28-24(31)18-6-9-27-20(12-18)15-26;1-3-35-23-19(15-5-8-34-9-6-15)12-20(31-32-23)18-11-17(13-29-14(18)2)30-22(33)16-4-7-28-21(10-16)24(25,26)27;1-3-35-23-19(15-6-8-34-9-7-15)12-20(30-32-23)18-11-17(5-4-14(18)2)29-22(33)16-10-21(24(25,26)27)31-28-13-16/h4-6,11,14-16,18H,3,7-10,12-13H2,1-2H3,(H,33,36);6-8,11,14-16,18H,5,9-10,12-13H2,1-4H3,(H,30,33);4-5,10-13,15H,3,6-9H2,1-2H3,(H,31,34);4-6,9,12-14,17H,3,7-8,10-11H2,1-2H3,(H,28,31);4,7,10-13,15H,3,5-6,8-9H2,1-2H3,(H,30,33);4-5,10-13,15H,3,6-9H2,1-2H3,(H,29,33)
InChIKeyBPLZYXRXRFBLME-UHFFFAOYSA-N
MW2944.54 g/mol
LogP31.52
Rot. Bonds38

About 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157421639) has the molecular formula C153H157ClF13N27O18 and a molecular weight of 2944.54 g/mol. Its IUPAC name is 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID157421639
Molecular FormulaC153H157ClF13N27O18
Molecular Weight2944.54 g/mol
Exact Mass2942.17
IUPAC Name5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(Cl)cn3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C#N)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C4(C(F)(F)F)CC4)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1
InChIInChI=1S/C28H29F3N4O3.C27H31FN4O3.C25H24ClF3N4O3.C25H25N5O3.2C24H24F3N5O3/c1-3-38-26-22(18-7-12-37-13-8-18)16-23(34-35-26)21-15-20(5-4-17(21)2)33-25(36)19-6-11-32-24(14-19)27(9-10-27)28(29,30)31;1-5-35-26-22(18-9-12-34-13-10-18)16-23(31-32-26)21-15-20(7-6-17(21)2)30-25(33)19-8-11-29-24(14-19)27(3,4)28;1-3-36-24-18(15-6-8-35-9-7-15)11-21(32-33-24)17-10-16(5-4-14(17)2)31-23(34)22-12-19(25(27,28)29)20(26)13-30-22;1-3-33-25-22(17-7-10-32-11-8-17)14-23(29-30-25)21-13-19(5-4-16(21)2)28-24(31)18-6-9-27-20(12-18)15-26;1-3-35-23-19(15-5-8-34-9-6-15)12-20(31-32-23)18-11-17(13-29-14(18)2)30-22(33)16-4-7-28-21(10-16)24(25,26)27;1-3-35-23-19(15-6-8-34-9-7-15)12-20(30-32-23)18-11-17(5-4-14(18)2)29-22(33)16-10-21(24(25,26)27)31-28-13-16/h4-6,11,14-16,18H,3,7-10,12-13H2,1-2H3,(H,33,36);6-8,11,14-16,18H,5,9-10,12-13H2,1-4H3,(H,30,33);4-5,10-13,15H,3,6-9H2,1-2H3,(H,31,34);4-6,9,12-14,17H,3,7-8,10-11H2,1-2H3,(H,28,31);4,7,10-13,15H,3,5-6,8-9H2,1-2H3,(H,30,33);4-5,10-13,15H,3,6-9H2,1-2H3,(H,29,33)
InChIKeyBPLZYXRXRFBLME-UHFFFAOYSA-N
XLogP31.52
TPSA566.95 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002944.54
LogP ≤ 531.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 134609660
2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[1-methyl-5-(oxan-4-yl)-6-oxopyridazin-3-yl]phenyl]pyridine-4-carboxamide
CID 90461349
5-chloro-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-(4-hydroxyoxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 160981307
N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 162144460
6-(2-cyanopropan-2-yl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 160879514
2-cyano-N-[3-[2-[(2R)-2,3-dihydroxypropoxy]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609356
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90461223
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[3-(hydroxymethyl)oxolan-3-yl]-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609425
N-[5-(7-ethyl-6-oxo-1,2,4,5,5a,11b-hexahydrooxepino[4,5-c][1,8]naphthyridin-10-yl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 139393813
2-(2-cyanopropan-2-yl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 158303011
N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
CID 90456640
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609474

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 157421639) is 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is CCOc1nnc(-c2cc(NC(=O)c3cc(C(F)(F)F)c(Cl)cn3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C#N)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C4(C(F)(F)F)CC4)c3)ccc2C)cc1C1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1C1CCOCC1.
What is the InChIKey of 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is BPLZYXRXRFBLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O3.C27H31FN4O3.C25H24ClF3N4O3.C25H25N5O3.2C24H24F3N5O3/c1-3-38-26-22(18-7-12-37-13-8-18)16-23(34-35-26)21-15-20(5-4-17(21)2)33-25(36)19-6-11-32-24(14-19)27(9-10-27)28(29,30)31;1-5-35-26-22(18-9-12-34-13-10-18)16-23(31-32-26)21-15-20(7-6-17(21)2)30-25(33)19-8-11-29-24(14-19)27(3,4)28;1-3-36-24-18(15-6-8-35-9-7-15)11-21(32-33-24)17-10-16(5-4-14(17)2)31-23(34)22-12-19(25(27,28)29)20(26)13-30-22;1-3-33-25-22(17-7-10-32-11-8-17)14-23(29-30-25)21-13-19(5-4-16(21)2)28-24(31)18-6-9-27-20(12-18)15-26;1-3-35-23-19(15-5-8-34-9-6-15)12-20(31-32-23)18-11-17(13-29-14(18)2)30-22(33)16-4-7-28-21(10-16)24(25,26)27;1-3-35-23-19(15-6-8-34-9-7-15)12-20(30-32-23)18-11-17(5-4-14(18)2)29-22(33)16-10-21(24(25,26)27)31-28-13-16/h4-6,11,14-16,18H,3,7-10,12-13H2,1-2H3,(H,33,36);6-8,11,14-16,18H,5,9-10,12-13H2,1-4H3,(H,30,33);4-5,10-13,15H,3,6-9H2,1-2H3,(H,31,34);4-6,9,12-14,17H,3,7-8,10-11H2,1-2H3,(H,28,31);4,7,10-13,15H,3,5-6,8-9H2,1-2H3,(H,30,33);4-5,10-13,15H,3,6-9H2,1-2H3,(H,29,33).
What are the key properties of 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2944.54 g/mol, XLogP of 31.52, 38 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;2-cyano-N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-2-[1-(trifluoromethyl)cyclopropyl]pyridine-4-carboxamide;N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157421639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).