N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

C93H96F14N26O17 — CID 157065186

About N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide

N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (PubChem CID 157065186) has the molecular formula C93H96F14N26O17 and a molecular weight of 2115.93 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
• PubChem CID: 157065186
• Molecular Formula: C93H96F14N26O17
• Molecular Weight: 2115.93 g/mol
• Exact Mass: 2114.72
• IUPAC Name: N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide
• SMILES: CCC(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCCC(F)(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)NC12CC(C1)C2
• InChI: InChI=1S/C17H16F2N4O3.C16H17F3N4O3.C16H17F2N5O2.C16H18F2N4O3.C14H14F3N5O3.C14H14F2N4O3/c18-16(19)26-14-3-1-11(8-20-14)12-2-4-15(25)23(22-12)9-13(24)21-17-5-10(6-17)7-17;1-2-20-13(24)10-23-15(25)6-4-12(22-23)11-3-5-14(21-9-11)26-8-7-16(17,18)19;1-2-19-14(24)8-23-15(25)6-4-12(21-23)11-3-5-13(20-7-11)22-9-16(17,18)10-22;1-3-10(2)20-13(23)9-22-15(24)7-5-12(21-22)11-4-6-14(19-8-11)25-16(17)18;1-2-18-11(23)7-22-12(24)4-3-10(21-22)9-5-19-13(20-6-9)25-8-14(15,16)17;1-2-17-11(21)8-20-13(22)6-4-10(19-20)9-3-5-12(18-7-9)23-14(15)16/h1-4,8,10,16H,5-7,9H2,(H,21,24);3-6,9H,2,7-8,10H2,1H3,(H,20,24);3-7H,2,8-10H2,1H3,(H,19,24);4-8,10,16H,3,9H2,1-2H3,(H,20,23);3-6H,2,7-8H2,1H3,(H,18,23);3-7,14H,2,8H2,1H3,(H,17,21)
• InChIKey: ABUGWWDOTKGYBV-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 523.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 37
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.93
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?

The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide (CID 157065186) is N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide.

What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?

The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is CCC(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCCC(F)(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O)NC12CC(C1)C2.

What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?

The InChIKey is ABUGWWDOTKGYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3.C16H17F3N4O3.C16H17F2N5O2.C16H18F2N4O3.C14H14F3N5O3.C14H14F2N4O3/c18-16(19)26-14-3-1-11(8-20-14)12-2-4-15(25)23(22-12)9-13(24)21-17-5-10(6-17)7-17;1-2-20-13(24)10-23-15(25)6-4-12(22-23)11-3-5-14(21-9-11)26-8-7-16(17,18)19;1-2-19-14(24)8-23-15(25)6-4-12(21-23)11-3-5-13(20-7-11)22-9-16(17,18)10-22;1-3-10(2)20-13(23)9-22-15(24)7-5-12(21-22)11-4-6-14(19-8-11)25-16(17)18;1-2-18-11(23)7-22-12(24)4-3-10(21-22)9-5-19-13(20-6-9)25-8-14(15,16)17;1-2-17-11(21)8-20-13(22)6-4-10(19-20)9-3-5-12(18-7-9)23-14(15)16/h1-4,8,10,16H,5-7,9H2,(H,21,24);3-6,9H,2,7-8,10H2,1H3,(H,20,24);3-7H,2,8-10H2,1H3,(H,19,24);4-8,10,16H,3,9H2,1-2H3,(H,20,23);3-6H,2,7-8H2,1H3,(H,18,23);3-7,14H,2,8H2,1H3,(H,17,21).

What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide?

N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide has a molecular weight of 2115.93 g/mol, XLogP of 7.89, 37 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-butan-2-yl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-ethyl-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(3,3,3-trifluoropropoxy)-3-pyridinyl]pyridazin-1-yl]acetamide is sourced from PubChem (CID 157065186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).