2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide

C102H114F7N29O15 — CID 160790153

About 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide

2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide (PubChem CID 160790153) has the molecular formula C102H114F7N29O15 and a molecular weight of 2119.21 g/mol. Its IUPAC name is 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide
• PubChem CID: 160790153
• Molecular Formula: C102H114F7N29O15
• Molecular Weight: 2119.21 g/mol
• Exact Mass: 2117.89
• IUPAC Name: 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide
• SMILES: CC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(CC(F)(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.O=C(Cn1nc(-c2cnc(NC34CC(C3)C4)nc2)ccc1=O)NC1CCC1
• InChI: InChI=1S/C19H22N6O2.C18H19F2N5O3.C18H21N5O2.C16H18F2N4O3.C16H19N5O3.C15H15F3N4O2/c26-16(22-14-2-1-3-14)11-25-17(27)5-4-15(24-25)13-9-20-18(21-10-13)23-19-6-12(7-19)8-19;1-11(2)18(3,10-21)23-14(26)9-25-16(27)7-5-13(24-25)12-4-6-15(22-8-12)28-17(19)20;1-2-19-16(24)11-23-17(25)6-4-14(22-23)13-3-5-15(20-10-13)21-18-7-12(8-18)9-18;1-16(2,3)20-12(23)9-22-14(24)7-5-11(21-22)10-4-6-13(19-8-10)25-15(17)18;1-2-17-15(22)8-21-16(23)6-4-13(20-21)11-3-5-14(18-7-11)19-12-9-24-10-12;1-2-19-13(23)9-22-14(24)6-5-12(21-22)10-3-4-11(20-8-10)7-15(16,17)18/h4-5,9-10,12,14H,1-3,6-8,11H2,(H,22,26)(H,20,21,23);4-8,11,17H,9H2,1-3H3,(H,23,26);3-6,10,12H,2,7-9,11H2,1H3,(H,19,24)(H,20,21);4-8,15H,9H2,1-3H3,(H,20,23);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19);3-6,8H,2,7,9H2,1H3,(H,19,23)/t;18-;;;;/m.1..../s1
• InChIKey: SBSOOUZKEAURAA-LOCSOLNBSA-N
• XLogP: 8.32
• TPSA: 561.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2119.21
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

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-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide?

The IUPAC name of 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide (CID 160790153) is 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide.

What is the SMILES notation for 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide?

The canonical SMILES for 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide is CC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CC(C)[C@@](C)(C#N)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(CC(F)(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.O=C(Cn1nc(-c2cnc(NC34CC(C3)C4)nc2)ccc1=O)NC1CCC1.

What is the InChIKey of 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide?

The InChIKey is SBSOOUZKEAURAA-LOCSOLNBSA-N. The full InChI is InChI=1S/C19H22N6O2.C18H19F2N5O3.C18H21N5O2.C16H18F2N4O3.C16H19N5O3.C15H15F3N4O2/c26-16(22-14-2-1-3-14)11-25-17(27)5-4-15(24-25)13-9-20-18(21-10-13)23-19-6-12(7-19)8-19;1-11(2)18(3,10-21)23-14(26)9-25-16(27)7-5-13(24-25)12-4-6-15(22-8-12)28-17(19)20;1-2-19-16(24)11-23-17(25)6-4-14(22-23)13-3-5-15(20-10-13)21-18-7-12(8-18)9-18;1-16(2,3)20-12(23)9-22-14(24)7-5-11(21-22)10-4-6-13(19-8-10)25-15(17)18;1-2-17-15(22)8-21-16(23)6-4-13(20-21)11-3-5-14(18-7-11)19-12-9-24-10-12;1-2-19-13(23)9-22-14(24)6-5-12(21-22)10-3-4-11(20-8-10)7-15(16,17)18/h4-5,9-10,12,14H,1-3,6-8,11H2,(H,22,26)(H,20,21,23);4-8,11,17H,9H2,1-3H3,(H,23,26);3-6,10,12H,2,7-9,11H2,1H3,(H,19,24)(H,20,21);4-8,15H,9H2,1-3H3,(H,20,23);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19);3-6,8H,2,7,9H2,1H3,(H,19,23)/t;18-;;;;/m.1..../s1.

What are the key properties of 2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide?

2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide has a molecular weight of 2119.21 g/mol, XLogP of 8.32, 35 rotatable bonds, 9 hydrogen bond donors, and 38 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-ethylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;N-tert-butyl-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-(2,2,2-trifluoroethyl)-3-pyridinyl]pyridazin-1-yl]acetamide is sourced from PubChem (CID 160790153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).