6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide

C140H158F5N27O23S — CID 158203361

About 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide

6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide (PubChem CID 158203361) has the molecular formula C140H158F5N27O23S and a molecular weight of 2714.03 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide.

Molecular Properties

• Compound Name: 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide
• PubChem CID: 158203361
• Molecular Formula: C140H158F5N27O23S
• Molecular Weight: 2714.03 g/mol
• Exact Mass: 2712.17
• IUPAC Name: 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide
• SMILES: Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.Cc1ncc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1
• InChI: InChI=1S/C29H35N5O5.C28H31F2N5O4.C28H32N8O4.C28H32N4O6S.C27H28F3N5O4/c1-19-24(16-22(18-31-19)33-27(35)20-4-7-30-26(15-20)29(2,3)36)21-14-25(34-8-12-38-13-9-34)28(32-17-21)39-23-5-10-37-11-6-23;1-18-23(15-21(17-32-18)34-26(36)19-3-6-31-25(14-19)28(2,29)30)20-13-24(35-7-11-38-12-8-35)27(33-16-20)39-22-4-9-37-10-5-22;1-18-22(13-20(16-30-18)32-26(37)19-12-25(34-31-15-19)28(2,3)17-29)23-14-24(36-6-10-39-11-7-36)27(35-33-23)40-21-4-8-38-9-5-21;1-19-25(16-22(18-29-19)31-27(33)20-4-3-5-24(14-20)39(2,34)35)21-15-26(32-8-12-37-13-9-32)28(30-17-21)38-23-6-10-36-11-7-23;1-17-22(14-20(16-31-17)32-25(36)18-3-2-4-19(13-18)27(28,29)30)23-15-24(35-7-11-38-12-8-35)26(34-33-23)39-21-5-9-37-10-6-21/h4,7,14-18,23,36H,5-6,8-13H2,1-3H3,(H,33,35);3,6,13-17,22H,4-5,7-12H2,1-2H3,(H,34,36);12-16,21H,4-11H2,1-3H3,(H,32,37);3-5,14-18,23H,6-13H2,1-2H3,(H,31,33);2-4,13-16,21H,5-12H2,1H3,(H,32,36)
• InChIKey: GBEYCWDOJDCDBN-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 584.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2714.03
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide?

The IUPAC name of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide (CID 158203361) is 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide.

What is the SMILES notation for 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide?

The canonical SMILES for 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.Cc1ncc(NC(=O)c2cccc(S(C)(=O)=O)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(N2CCOCC2)c(OC2CCOCC2)nn1.

What is the InChIKey of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide?

The InChIKey is GBEYCWDOJDCDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O5.C28H31F2N5O4.C28H32N8O4.C28H32N4O6S.C27H28F3N5O4/c1-19-24(16-22(18-31-19)33-27(35)20-4-7-30-26(15-20)29(2,3)36)21-14-25(34-8-12-38-13-9-34)28(32-17-21)39-23-5-10-37-11-6-23;1-18-23(15-21(17-32-18)34-26(36)19-3-6-31-25(14-19)28(2,29)30)20-13-24(35-7-11-38-12-8-35)27(33-16-20)39-22-4-9-37-10-5-22;1-18-22(13-20(16-30-18)32-26(37)19-12-25(34-31-15-19)28(2,3)17-29)23-14-24(36-6-10-39-11-7-36)27(35-33-23)40-21-4-8-38-9-5-21;1-19-25(16-22(18-29-19)31-27(33)20-4-3-5-24(14-20)39(2,34)35)21-15-26(32-8-12-37-13-9-32)28(30-17-21)38-23-6-10-36-11-7-23;1-17-22(14-20(16-31-17)32-25(36)18-3-2-4-19(13-18)27(28,29)30)23-15-24(35-7-11-38-12-8-35)26(34-33-23)39-21-5-9-37-10-6-21/h4,7,14-18,23,36H,5-6,8-13H2,1-3H3,(H,33,35);3,6,13-17,22H,4-5,7-12H2,1-2H3,(H,34,36);12-16,21H,4-11H2,1-3H3,(H,32,37);3-5,14-18,23H,6-13H2,1-2H3,(H,31,33);2-4,13-16,21H,5-12H2,1H3,(H,32,36).

What are the key properties of 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide?

6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide has a molecular weight of 2714.03 g/mol, XLogP of 19.43, 34 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]pyridazine-4-carboxamide;2-(1,1-difluoroethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridazin-3-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 158203361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).