2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide

C90H104F5N25O12 — CID 158465074

About 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide

2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide (PubChem CID 158465074) has the molecular formula C90H104F5N25O12 and a molecular weight of 1822.97 g/mol. Its IUPAC name is 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide.

Molecular Properties

• Compound Name: 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
• PubChem CID: 158465074
• Molecular Formula: C90H104F5N25O12
• Molecular Weight: 1822.97 g/mol
• Exact Mass: 1821.82
• IUPAC Name: 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
• SMILES: CCNC(=O)Cn1nc(-c2ccc(N3CC(OC(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC(C)(C)C)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC1CCC1.O=C(Cn1nc(-c2ccc(NC3CCC3)nc2)ccc1=O)NC1CCC1.O=C(Cn1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1=O)NC12CC(C1)C2
• InChI: InChI=1S/C20H23N5O2.C19H23N5O2.C17H16F3N5O3.C17H19F2N5O3.C17H23N5O2/c26-18(22-15-2-1-3-15)12-25-19(27)7-5-16(24-25)14-4-6-17(21-11-14)23-20-8-13(9-20)10-20;25-18(22-15-5-2-6-15)12-24-19(26)10-8-16(23-24)13-7-9-17(20-11-13)21-14-3-1-4-14;18-17(19,20)9-28-15-21-6-11(7-22-15)12-1-2-14(27)25(24-12)8-13(26)23-16-3-10(4-16)5-16;1-2-20-15(25)10-24-16(26)6-4-13(22-24)11-3-5-14(21-7-11)23-8-12(9-23)27-17(18)19;1-5-18-15(23)11-22-16(24)9-7-13(21-22)12-6-8-14(19-10-12)20-17(2,3)4/h4-7,11,13,15H,1-3,8-10,12H2,(H,21,23)(H,22,26);7-11,14-15H,1-6,12H2,(H,20,21)(H,22,25);1-2,6-7,10H,3-5,8-9H2,(H,23,26);3-7,12,17H,2,8-10H2,1H3,(H,20,25);6-10H,5,11H2,1-4H3,(H,18,23)(H,19,20)
• InChIKey: HFQQJZLOPOIIBG-UHFFFAOYSA-N
• XLogP: 7.71
• TPSA: 455.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.97
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

The IUPAC name of 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide (CID 158465074) is 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide.

What is the SMILES notation for 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

The canonical SMILES for 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1nc(-c2ccc(N3CC(OC(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC(C)(C)C)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC1CCC1.O=C(Cn1nc(-c2ccc(NC3CCC3)nc2)ccc1=O)NC1CCC1.O=C(Cn1nc(-c2cnc(OCC(F)(F)F)nc2)ccc1=O)NC12CC(C1)C2.

What is the InChIKey of 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

The InChIKey is HFQQJZLOPOIIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.C19H23N5O2.C17H16F3N5O3.C17H19F2N5O3.C17H23N5O2/c26-18(22-15-2-1-3-15)12-25-19(27)7-5-16(24-25)14-4-6-17(21-11-14)23-20-8-13(9-20)10-20;25-18(22-15-5-2-6-15)12-24-19(26)10-8-16(23-24)13-7-9-17(20-11-13)21-14-3-1-4-14;18-17(19,20)9-28-15-21-6-11(7-22-15)12-1-2-14(27)25(24-12)8-13(26)23-16-3-10(4-16)5-16;1-2-20-15(25)10-24-16(26)6-4-13(22-24)11-3-5-14(21-7-11)23-8-12(9-23)27-17(18)19;1-5-18-15(23)11-22-16(24)9-7-13(21-22)12-6-8-14(19-10-12)20-17(2,3)4/h4-7,11,13,15H,1-3,8-10,12H2,(H,21,23)(H,22,26);7-11,14-15H,1-6,12H2,(H,20,21)(H,22,25);1-2,6-7,10H,3-5,8-9H2,(H,23,26);3-7,12,17H,2,8-10H2,1H3,(H,20,25);6-10H,5,11H2,1-4H3,(H,18,23)(H,19,20).

What are the key properties of 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide has a molecular weight of 1822.97 g/mol, XLogP of 7.71, 30 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[6-oxo-3-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-1-yl]acetamide;2-[3-[6-(tert-butylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-cyclobutyl-2-[3-[6-(cyclobutylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;2-[3-[6-[3-(difluoromethoxy)azetidin-1-yl]-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 158465074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).