2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide

C89H90ClF8N23O14 — CID 159790675

About 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide

2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 159790675) has the molecular formula C89H90ClF8N23O14 and a molecular weight of 1893.28 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
• PubChem CID: 159790675
• Molecular Formula: C89H90ClF8N23O14
• Molecular Weight: 1893.28 g/mol
• Exact Mass: 1891.66
• IUPAC Name: 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
• SMILES: CCNC(=O)Cn1nc(-c2ccc(NC3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OC3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(Oc3ccc(Cl)cc3)nc2)ccc1=O.Cc1cccc(CNC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)c1
• InChI: InChI=1S/C20H18F2N4O3.C18H16ClN5O3.C17H19F2N5O3.C17H19F2N5O2.C17H18F2N4O3/c1-13-3-2-4-14(9-13)10-23-17(27)12-26-19(28)8-6-16(25-26)15-5-7-18(24-11-15)29-20(21)22;1-2-20-16(25)11-24-17(26)8-7-15(23-24)12-9-21-18(22-10-12)27-14-5-3-13(19)4-6-14;1-2-20-14(25)9-24-15(26)4-3-13(23-24)12-7-21-16(22-8-12)27-10-11-5-17(18,19)6-11;1-2-20-15(25)10-24-16(26)6-4-13(23-24)11-3-5-14(21-9-11)22-12-7-17(18,19)8-12;1-2-20-14(24)10-23-16(25)6-4-13(22-23)11-3-5-15(21-9-11)26-12-7-17(18,19)8-12/h2-9,11,20H,10,12H2,1H3,(H,23,27);3-10H,2,11H2,1H3,(H,20,25);3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,25);3-6,9,12H,2,7-8,10H2,1H3,(H,20,25)(H,21,22);3-6,9,12H,2,7-8,10H2,1H3,(H,20,24)
• InChIKey: NINADZQFXGNBMU-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 459.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1893.28
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?

The IUPAC name of 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide (CID 159790675) is 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide.

What is the SMILES notation for 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?

The canonical SMILES for 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide is CCNC(=O)Cn1nc(-c2ccc(NC3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OC3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(OCC3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(Oc3ccc(Cl)cc3)nc2)ccc1=O.Cc1cccc(CNC(=O)Cn2nc(-c3ccc(OC(F)F)nc3)ccc2=O)c1.

What is the InChIKey of 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?

The InChIKey is NINADZQFXGNBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3.C18H16ClN5O3.C17H19F2N5O3.C17H19F2N5O2.C17H18F2N4O3/c1-13-3-2-4-14(9-13)10-23-17(27)12-26-19(28)8-6-16(25-26)15-5-7-18(24-11-15)29-20(21)22;1-2-20-16(25)11-24-17(26)8-7-15(23-24)12-9-21-18(22-10-12)27-14-5-3-13(19)4-6-14;1-2-20-14(25)9-24-15(26)4-3-13(23-24)12-7-21-16(22-8-12)27-10-11-5-17(18,19)6-11;1-2-20-15(25)10-24-16(26)6-4-13(23-24)11-3-5-14(21-9-11)22-12-7-17(18,19)8-12;1-2-20-14(24)10-23-16(25)6-4-13(22-23)11-3-5-15(21-9-11)26-12-7-17(18,19)8-12/h2-9,11,20H,10,12H2,1H3,(H,23,27);3-10H,2,11H2,1H3,(H,20,25);3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,25);3-6,9,12H,2,7-8,10H2,1H3,(H,20,25)(H,21,22);3-6,9,12H,2,7-8,10H2,1H3,(H,20,24).

What are the key properties of 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide?

2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 1893.28 g/mol, XLogP of 9.34, 32 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(4-chlorophenoxy)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-[(3,3-difluorocyclobutyl)amino]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-[(3,3-difluorocyclobutyl)methoxy]pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 159790675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).