2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide

C106H116F11N19O13 — CID 159314852

IUPAC2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
SMILESCCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccc(CN(C)C)c(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccc(CO)c(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C28H32F3N5O3.C27H30F3N5O3.C26H28F2N4O3.C25H26F3N5O4/c1-5-39-27-25(36-10-12-38-13-11-36)16-24(33-34-27)22-15-21(9-6-18(22)2)32-26(37)19-7-8-20(17-35(3)4)23(14-19)28(29,30)31;1-4-6-18-7-8-19(13-22(18)27(28,29)30)25(36)32-20-14-21(17(3)31-16-20)23-15-24(26(34-33-23)38-5-2)35-9-11-37-12-10-35;1-4-35-25-22(32-9-11-34-12-10-32)16-21(30-31-25)20-15-19(6-5-17(20)2)23(33)13-18-7-8-29-24(14-18)26(3,27)28;1-3-37-24-22(33-6-8-36-9-7-33)12-21(31-32-24)19-11-18(13-29-15(19)2)30-23(35)16-4-5-17(14-34)20(10-16)25(26,27)28/h6-9,14-16H,5,10-13,17H2,1-4H3,(H,32,37);7-8,13-16H,4-6,9-12H2,1-3H3,(H,32,36);5-8,14-16H,4,9-13H2,1-3H3;4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,35)
InChIKeyLCZVAYSRPPZIFQ-UHFFFAOYSA-N
MW2073.19 g/mol
LogP18.79
Rot. Bonds31

About 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide

2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide (PubChem CID 159314852) has the molecular formula C106H116F11N19O13 and a molecular weight of 2073.19 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
PubChem CID159314852
Molecular FormulaC106H116F11N19O13
Molecular Weight2073.19 g/mol
Exact Mass2071.88
IUPAC Name2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
SMILESCCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccc(CN(C)C)c(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccc(CO)c(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1
InChIInChI=1S/C28H32F3N5O3.C27H30F3N5O3.C26H28F2N4O3.C25H26F3N5O4/c1-5-39-27-25(36-10-12-38-13-11-36)16-24(33-34-27)22-15-21(9-6-18(22)2)32-26(37)19-7-8-20(17-35(3)4)23(14-19)28(29,30)31;1-4-6-18-7-8-19(13-22(18)27(28,29)30)25(36)32-20-14-21(17(3)31-16-20)23-15-24(26(34-33-23)38-5-2)35-9-11-37-12-10-35;1-4-35-25-22(32-9-11-34-12-10-32)16-21(30-31-25)20-15-19(6-5-17(20)2)23(33)13-18-7-8-29-24(14-18)26(3,27)28;1-3-37-24-22(33-6-8-36-9-7-33)12-21(31-32-24)19-11-18(13-29-15(19)2)30-23(35)16-4-5-17(14-34)20(10-16)25(26,27)28/h6-9,14-16H,5,10-13,17H2,1-4H3,(H,32,37);7-8,13-16H,4-6,9-12H2,1-3H3,(H,32,36);5-8,14-16H,4,9-13H2,1-3H3;4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,35)
InChIKeyLCZVAYSRPPZIFQ-UHFFFAOYSA-N
XLogP18.79
TPSA356.43 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.19
LogP ≤ 518.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Analyze 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456597
N-[2-(1,1-difluoroethyl)pyridin-4-yl]-3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylbenzamide
CID 90456082
N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methylpyridin-3-yl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
CID 90456591
N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxypyridazin-3-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456617
2-(1,1-difluoroethyl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90456673
2-(difluoromethyl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90456770
N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-ylpyridazin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456779
N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 90456790
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 90456807
2-(2-fluoropropan-2-yl)-N-[3-[6-(2-methoxyethoxy)-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90456934
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90457067
3-(difluoromethyl)-N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methylpyridin-3-yl]benzamide
CID 90457245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide (CID 159314852) is 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide is CCCc1ccc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC)nn3)c2)cc1C(F)(F)F.CCOc1nnc(-c2cc(C(=O)Cc3ccnc(C(C)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccc(CN(C)C)c(C(F)(F)F)c3)ccc2C)cc1N1CCOCC1.CCOc1nnc(-c2cc(NC(=O)c3ccc(CO)c(C(F)(F)F)c3)cnc2C)cc1N1CCOCC1.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?
The InChIKey is LCZVAYSRPPZIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N5O3.C27H30F3N5O3.C26H28F2N4O3.C25H26F3N5O4/c1-5-39-27-25(36-10-12-38-13-11-36)16-24(33-34-27)22-15-21(9-6-18(22)2)32-26(37)19-7-8-20(17-35(3)4)23(14-19)28(29,30)31;1-4-6-18-7-8-19(13-22(18)27(28,29)30)25(36)32-20-14-21(17(3)31-16-20)23-15-24(26(34-33-23)38-5-2)35-9-11-37-12-10-35;1-4-35-25-22(32-9-11-34-12-10-32)16-21(30-31-25)20-15-19(6-5-17(20)2)23(33)13-18-7-8-29-24(14-18)26(3,27)28;1-3-37-24-22(33-6-8-36-9-7-33)12-21(31-32-24)19-11-18(13-29-15(19)2)30-23(35)16-4-5-17(14-34)20(10-16)25(26,27)28/h6-9,14-16H,5,10-13,17H2,1-4H3,(H,32,37);7-8,13-16H,4-6,9-12H2,1-3H3,(H,32,36);5-8,14-16H,4,9-13H2,1-3H3;4-5,10-13,34H,3,6-9,14H2,1-2H3,(H,30,35).
What are the key properties of 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide?
2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide has a molecular weight of 2073.19 g/mol, XLogP of 18.79, 31 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 159314852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).