4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C186H206F12N36O22 — CID 158641862

IUPAC4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC[C@@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOC[C@@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C29H33F3N4O3.C28H31F3N4O3.C28H32N6O3.C27H30N6O3.C26H31N5O4.C25H26F3N5O3.C23H23F3N6O3/c1-4-6-7-20-9-10-21(16-24(20)29(30,31)32)27(37)33-22-11-8-19(3)23(17-22)25-18-26(28(35-34-25)39-5-2)36-12-14-38-15-13-36;1-4-6-19-8-9-20(15-23(19)28(29,30)31)26(36)32-21-10-7-18(3)22(16-21)24-17-25(27(34-33-24)38-5-2)35-11-13-37-14-12-35;1-6-37-27-24(34-11-12-36-16-19(34)3)15-23(32-33-27)22-14-21(8-7-18(22)2)31-26(35)20-9-10-30-25(13-20)28(4,5)17-29;1-5-36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)2)30-25(34)19-8-9-29-24(14-19)27(3,4)17-28;1-5-35-25-22(31-10-12-34-13-11-31)16-21(29-30-25)20-15-19(7-6-17(20)2)28-24(32)18-8-9-27-23(14-18)26(3,4)33;1-4-36-24-22(33-8-9-35-14-15(33)2)12-21(31-32-24)20-11-19(13-29-16(20)3)30-23(34)17-6-5-7-18(10-17)25(26,27)28;1-3-35-22-19(32-6-8-34-9-7-32)12-18(29-31-22)17-11-16(5-4-14(17)2)28-21(33)15-10-20(23(24,25)26)30-27-13-15/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,33,37);7-10,15-17H,4-6,11-14H2,1-3H3,(H,32,36);7-10,13-15,19H,6,11-12,16H2,1-5H3,(H,31,35);6-9,14-16H,5,10-13H2,1-4H3,(H,30,34);6-9,14-16,33H,5,10-13H2,1-4H3,(H,28,32);5-7,10-13,15H,4,8-9,14H2,1-3H3,(H,30,34);4-5,10-13H,3,6-9H2,1-2H3,(H,28,33)/t;;19-;;;15-;/m..0..0./s1
InChIKeyIAMHJIFLZLEEOI-ZIDZMZMGSA-N
MW3525.90 g/mol
LogP32.92
Rot. Bonds50

About 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 158641862) has the molecular formula C186H206F12N36O22 and a molecular weight of 3525.90 g/mol. Its IUPAC name is 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID158641862
Molecular FormulaC186H206F12N36O22
Molecular Weight3525.90 g/mol
Exact Mass3523.59
IUPAC Name4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCCCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC[C@@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOC[C@@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1
InChIInChI=1S/C29H33F3N4O3.C28H31F3N4O3.C28H32N6O3.C27H30N6O3.C26H31N5O4.C25H26F3N5O3.C23H23F3N6O3/c1-4-6-7-20-9-10-21(16-24(20)29(30,31)32)27(37)33-22-11-8-19(3)23(17-22)25-18-26(28(35-34-25)39-5-2)36-12-14-38-15-13-36;1-4-6-19-8-9-20(15-23(19)28(29,30)31)26(36)32-21-10-7-18(3)22(16-21)24-17-25(27(34-33-24)38-5-2)35-11-13-37-14-12-35;1-6-37-27-24(34-11-12-36-16-19(34)3)15-23(32-33-27)22-14-21(8-7-18(22)2)31-26(35)20-9-10-30-25(13-20)28(4,5)17-29;1-5-36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)2)30-25(34)19-8-9-29-24(14-19)27(3,4)17-28;1-5-35-25-22(31-10-12-34-13-11-31)16-21(29-30-25)20-15-19(7-6-17(20)2)28-24(32)18-8-9-27-23(14-18)26(3,4)33;1-4-36-24-22(33-8-9-35-14-15(33)2)12-21(31-32-24)20-11-19(13-29-16(20)3)30-23(34)17-6-5-7-18(10-17)25(26,27)28;1-3-35-22-19(32-6-8-34-9-7-32)12-18(29-31-22)17-11-16(5-4-14(17)2)28-21(33)15-10-20(23(24,25)26)30-27-13-15/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,33,37);7-10,15-17H,4-6,11-14H2,1-3H3,(H,32,36);7-10,13-15,19H,6,11-12,16H2,1-5H3,(H,31,35);6-9,14-16H,5,10-13H2,1-4H3,(H,30,34);6-9,14-16,33H,5,10-13H2,1-4H3,(H,28,32);5-7,10-13,15H,4,8-9,14H2,1-3H3,(H,30,34);4-5,10-13H,3,6-9H2,1-2H3,(H,28,33)/t;;19-;;;15-;/m..0..0./s1
InChIKeyIAMHJIFLZLEEOI-ZIDZMZMGSA-N
XLogP32.92
TPSA681.21 Ų
H-Bond Donors8
H-Bond Acceptors51
Rotatable Bonds50
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003525.90
LogP ≤ 532.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1051

Analyze 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 90460991
2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]phenyl]pyridine-4-carboxamide
CID 117609930
2-(1,1-difluoroethyl)-N-[3-[(9S,10S)-9-[4-[4-[[3-[(9R,10R)-9-ethyl-8,12-dioxa-1,5,6-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]-4-methylphenyl]carbamoyl]pyridin-2-yl]-4,4-difluorobutan-2-yl]-8,12-dioxa-1,5,6-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 129272086
N-[3-[6-[2-[4-[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(2-hydroxyethoxy)pyridazin-4-yl]morpholin-2-yl]oxyethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 130425563
N-[3-[6-ethoxy-5-[2-[2-[6-[5-[[2-(2-hydroxypropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-4-morpholin-4-ylpyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130425574
2-(2-cyanopropan-2-yl)-N-[3-[5-[(3R)-2-[2-[6-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-[(3R)-3-methyl-2-[2-[4-[(3R)-3-methylmorpholin-4-yl]-6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]pyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]oxyethyl]-3-methylmorpholin-4-yl]-6-ethoxypyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425581
2-(2-cyanopropan-2-yl)-N-[3-[6-[(2R)-2-hydroxypropoxy]-5-[2-[[4-[[5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-morpholin-4-yl-2-pyridinyl]oxy]piperidin-1-yl]methyl]morpholin-4-yl]-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425624
2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425657
6-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[2-[2-[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-4-morpholin-4-ylpyridazin-3-yl]oxyethyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridazine-4-carboxamide
CID 130425658
6-(2-cyanopropan-2-yl)-N-[3-[4-[[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-3-[4-[[4-[5-[[2-(difluoromethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-2-methylphenyl]-6-morpholin-4-yl-2-pyridinyl]oxy]oxan-2-yl]-4-methyl-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridazine-4-carboxamide
CID 130425662
2-(2-cyanopropan-2-yl)-N-[3-[6-[1-[4-[6-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-(2-methoxyethoxy)pyridazin-4-yl]morpholin-2-yl]propan-2-yloxy]-5-[2-[2-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-4-morpholin-4-ylpyridazin-3-yl]oxypropyl]morpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425721
N-[3-[6-[[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-methoxypyridazin-4-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130425793

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 158641862) is 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is CCCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCCc1ccc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1N1CCOC[C@@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1N1CCOC[C@@H]1C.CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)O)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3cnnc(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.
What is the InChIKey of 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is IAMHJIFLZLEEOI-ZIDZMZMGSA-N. The full InChI is InChI=1S/C29H33F3N4O3.C28H31F3N4O3.C28H32N6O3.C27H30N6O3.C26H31N5O4.C25H26F3N5O3.C23H23F3N6O3/c1-4-6-7-20-9-10-21(16-24(20)29(30,31)32)27(37)33-22-11-8-19(3)23(17-22)25-18-26(28(35-34-25)39-5-2)36-12-14-38-15-13-36;1-4-6-19-8-9-20(15-23(19)28(29,30)31)26(36)32-21-10-7-18(3)22(16-21)24-17-25(27(34-33-24)38-5-2)35-11-13-37-14-12-35;1-6-37-27-24(34-11-12-36-16-19(34)3)15-23(32-33-27)22-14-21(8-7-18(22)2)31-26(35)20-9-10-30-25(13-20)28(4,5)17-29;1-5-36-26-23(33-10-12-35-13-11-33)16-22(31-32-26)21-15-20(7-6-18(21)2)30-25(34)19-8-9-29-24(14-19)27(3,4)17-28;1-5-35-25-22(31-10-12-34-13-11-31)16-21(29-30-25)20-15-19(7-6-17(20)2)28-24(32)18-8-9-27-23(14-18)26(3,4)33;1-4-36-24-22(33-8-9-35-14-15(33)2)12-21(31-32-24)20-11-19(13-29-16(20)3)30-23(34)17-6-5-7-18(10-17)25(26,27)28;1-3-35-22-19(32-6-8-34-9-7-32)12-18(29-31-22)17-11-16(5-4-14(17)2)28-21(33)15-10-20(23(24,25)26)30-27-13-15/h8-11,16-18H,4-7,12-15H2,1-3H3,(H,33,37);7-10,15-17H,4-6,11-14H2,1-3H3,(H,32,36);7-10,13-15,19H,6,11-12,16H2,1-5H3,(H,31,35);6-9,14-16H,5,10-13H2,1-4H3,(H,30,34);6-9,14-16,33H,5,10-13H2,1-4H3,(H,28,32);5-7,10-13,15H,4,8-9,14H2,1-3H3,(H,30,34);4-5,10-13H,3,6-9H2,1-2H3,(H,28,33)/t;;19-;;;15-;/m..0..0./s1.
What are the key properties of 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 3525.90 g/mol, XLogP of 32.92, 50 rotatable bonds, 8 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[(3S)-3-methylmorpholin-4-yl]pyridazin-3-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-propyl-3-(trifluoromethyl)benzamide;N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 158641862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).