6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C203H196F15N39O25S2 — CID 158430034

IUPAC6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1c(-c2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)C3)cc(NC(=O)c2cccc(C(F)(F)F)c2)c[n+]1[O-].Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNC2.Cc1ccc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CS(=O)(=O)C2
InChIInChI=1S/C27H29N5O3.C26H25F3N4O2.C26H23F3N4O2.2C26H26N6O3.C24H22F3N5O5S.C24H22F3N5O4S.C24H23F3N4O3/c1-18-5-6-21(30-26(34)23-15-20(7-8-29-23)27(2,3)17-28)16-22(18)19-13-24(31(4)25(33)14-19)32-9-11-35-12-10-32;1-16-5-6-18(23(34)12-17-3-2-4-19(11-17)26(27,28)29)13-20(16)24-31-22-15-30-14-21(22)25(32-24)33-7-9-35-10-8-33;1-17-5-6-19(24(34)14-18-3-2-4-20(13-18)26(27,28)29)15-21(17)22-16-23(32-9-11-35-12-10-32)25-30-7-8-33(25)31-22;1-17-3-4-20(29-24(33)18-12-23(30-28-14-18)26(16-27)5-6-26)13-21(17)19-11-22(25(34)31(2)15-19)32-7-9-35-10-8-32;1-17-3-4-20(29-25(34)19-11-22(30-28-15-19)26(16-27)5-6-26)14-21(17)18-12-23(31(2)24(33)13-18)32-7-9-35-10-8-32;1-14-18(10-17(11-32(14)34)28-23(33)15-3-2-4-16(9-15)24(25,26)27)21-29-20-13-38(35,36)12-19(20)22(30-21)31-5-7-37-8-6-31;1-14-18(10-17(11-28-14)29-23(33)15-3-2-4-16(9-15)24(25,26)27)21-30-20-13-37(34,35)12-19(20)22(31-21)32-5-7-36-8-6-32;1-15-3-4-19(29-23(33)17-9-18(14-28-13-17)24(25,26)27)12-20(15)16-10-21(30(2)22(32)11-16)31-5-7-34-8-6-31/h5-8,13-16H,9-12H2,1-4H3,(H,30,34);2-6,11,13,30H,7-10,12,14-15H2,1H3;2-8,13,15-16H,9-12,14H2,1H3;3-4,11-15H,5-10H2,1-2H3,(H,29,33);3-4,11-15H,5-10H2,1-2H3,(H,29,34);2-4,9-11H,5-8,12-13H2,1H3,(H,28,33);2-4,9-11H,5-8,12-13H2,1H3,(H,29,33);3-4,9-14H,5-8H2,1-2H3,(H,29,33)
InChIKeyHBNSBDVFBOSXIN-UHFFFAOYSA-N
MW3931.15 g/mol
LogP28.42
Rot. Bonds37

About 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 158430034) has the molecular formula C203H196F15N39O25S2 and a molecular weight of 3931.15 g/mol. Its IUPAC name is 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID158430034
Molecular FormulaC203H196F15N39O25S2
Molecular Weight3931.15 g/mol
Exact Mass3928.45
IUPAC Name6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1c(-c2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)C3)cc(NC(=O)c2cccc(C(F)(F)F)c2)c[n+]1[O-].Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNC2.Cc1ccc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CS(=O)(=O)C2
InChIInChI=1S/C27H29N5O3.C26H25F3N4O2.C26H23F3N4O2.2C26H26N6O3.C24H22F3N5O5S.C24H22F3N5O4S.C24H23F3N4O3/c1-18-5-6-21(30-26(34)23-15-20(7-8-29-23)27(2,3)17-28)16-22(18)19-13-24(31(4)25(33)14-19)32-9-11-35-12-10-32;1-16-5-6-18(23(34)12-17-3-2-4-19(11-17)26(27,28)29)13-20(16)24-31-22-15-30-14-21(22)25(32-24)33-7-9-35-10-8-33;1-17-5-6-19(24(34)14-18-3-2-4-20(13-18)26(27,28)29)15-21(17)22-16-23(32-9-11-35-12-10-32)25-30-7-8-33(25)31-22;1-17-3-4-20(29-24(33)18-12-23(30-28-14-18)26(16-27)5-6-26)13-21(17)19-11-22(25(34)31(2)15-19)32-7-9-35-10-8-32;1-17-3-4-20(29-25(34)19-11-22(30-28-15-19)26(16-27)5-6-26)14-21(17)18-12-23(31(2)24(33)13-18)32-7-9-35-10-8-32;1-14-18(10-17(11-32(14)34)28-23(33)15-3-2-4-16(9-15)24(25,26)27)21-29-20-13-38(35,36)12-19(20)22(30-21)31-5-7-37-8-6-31;1-14-18(10-17(11-28-14)29-23(33)15-3-2-4-16(9-15)24(25,26)27)21-30-20-13-37(34,35)12-19(20)22(31-21)32-5-7-36-8-6-32;1-15-3-4-19(29-23(33)17-9-18(14-28-13-17)24(25,26)27)12-20(15)16-10-21(30(2)22(32)11-16)31-5-7-34-8-6-31/h5-8,13-16H,9-12H2,1-4H3,(H,30,34);2-6,11,13,30H,7-10,12,14-15H2,1H3;2-8,13,15-16H,9-12,14H2,1H3;3-4,11-15H,5-10H2,1-2H3,(H,29,33);3-4,11-15H,5-10H2,1-2H3,(H,29,34);2-4,9-11H,5-8,12-13H2,1H3,(H,28,33);2-4,9-11H,5-8,12-13H2,1H3,(H,29,33);3-4,9-14H,5-8H2,1-2H3,(H,29,33)
InChIKeyHBNSBDVFBOSXIN-UHFFFAOYSA-N
XLogP28.42
TPSA772.88 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds37
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003931.15
LogP ≤ 528.42
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Analyze 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 158430034) is 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1c(-c2nc3c(c(N4CCOCC4)n2)CS(=O)(=O)C3)cc(NC(=O)c2cccc(C(F)(F)F)c2)c[n+]1[O-].Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nccn2n1.Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CNC2.Cc1ccc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cncc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C)c1.Cc1ccc(NC(=O)c2cnnc(C3(C#N)CC3)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1nc2c(c(N3CCOCC3)n1)CS(=O)(=O)C2.
What is the InChIKey of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is HBNSBDVFBOSXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C26H25F3N4O2.C26H23F3N4O2.2C26H26N6O3.C24H22F3N5O5S.C24H22F3N5O4S.C24H23F3N4O3/c1-18-5-6-21(30-26(34)23-15-20(7-8-29-23)27(2,3)17-28)16-22(18)19-13-24(31(4)25(33)14-19)32-9-11-35-12-10-32;1-16-5-6-18(23(34)12-17-3-2-4-19(11-17)26(27,28)29)13-20(16)24-31-22-15-30-14-21(22)25(32-24)33-7-9-35-10-8-33;1-17-5-6-19(24(34)14-18-3-2-4-20(13-18)26(27,28)29)15-21(17)22-16-23(32-9-11-35-12-10-32)25-30-7-8-33(25)31-22;1-17-3-4-20(29-24(33)18-12-23(30-28-14-18)26(16-27)5-6-26)13-21(17)19-11-22(25(34)31(2)15-19)32-7-9-35-10-8-32;1-17-3-4-20(29-25(34)19-11-22(30-28-15-19)26(16-27)5-6-26)14-21(17)18-12-23(31(2)24(33)13-18)32-7-9-35-10-8-32;1-14-18(10-17(11-32(14)34)28-23(33)15-3-2-4-16(9-15)24(25,26)27)21-29-20-13-38(35,36)12-19(20)22(30-21)31-5-7-37-8-6-31;1-14-18(10-17(11-28-14)29-23(33)15-3-2-4-16(9-15)24(25,26)27)21-30-20-13-37(34,35)12-19(20)22(31-21)32-5-7-36-8-6-32;1-15-3-4-19(29-23(33)17-9-18(14-28-13-17)24(25,26)27)12-20(15)16-10-21(30(2)22(32)11-16)31-5-7-34-8-6-31/h5-8,13-16H,9-12H2,1-4H3,(H,30,34);2-6,11,13,30H,7-10,12,14-15H2,1H3;2-8,13,15-16H,9-12,14H2,1H3;3-4,11-15H,5-10H2,1-2H3,(H,29,33);3-4,11-15H,5-10H2,1-2H3,(H,29,34);2-4,9-11H,5-8,12-13H2,1H3,(H,28,33);2-4,9-11H,5-8,12-13H2,1H3,(H,29,33);3-4,9-14H,5-8H2,1-2H3,(H,29,33).
What are the key properties of 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 3931.15 g/mol, XLogP of 28.42, 37 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;6-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-2-carboxamide;N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide;1-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-1-oxidopyridin-1-ium-3-yl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4-morpholin-4-yl-6,6-dioxo-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 158430034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).