2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide

C129H153F3N36O19 — CID 158772055

IUPAC2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N3CC(COC(F)(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)CC4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3CCOCC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(NC34CC(O)(C3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC12CC(C1)C2
InChIInChI=1S/C21H23N5O2.C21H27N5O2.C18H20F3N5O3.C18H21N5O3.C18H23N5O3.C17H20N6O3.C16H19N5O3/c27-18(24-21-8-14(9-21)10-21)12-26-19(28)4-2-16(25-26)15-1-3-17(22-11-15)23-20-5-13(6-20)7-20;1-2-22-19(27)14-26-20(28)6-4-17(25-26)16-3-5-18(23-13-16)24-21-10-7-15(8-11-21)9-12-21;1-2-22-16(27)10-26-17(28)6-4-14(24-26)13-3-5-15(23-7-13)25-8-12(9-25)11-29-18(19,20)21;1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13;1-2-19-17(24)12-23-18(25)6-4-15(22-23)13-3-5-16(20-11-13)21-14-7-9-26-10-8-14;1-2-18-13(24)7-23-14(25)4-3-12(22-23)11-5-19-15(20-6-11)21-16-8-17(26,9-16)10-16;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/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,27);3-6,13,15H,2,7-12,14H2,1H3,(H,22,27)(H,23,24);3-7,12H,2,8-11H2,1H3,(H,22,27);3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24);3-6,11,14H,2,7-10,12H2,1H3,(H,19,24)(H,20,21);3-6,26H,2,7-10H2,1H3,(H,18,24)(H,19,20,21);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19)
InChIKeyIPZMHMHOCYJRKG-UHFFFAOYSA-N
MW2568.87 g/mol
LogP7.55
Rot. Bonds42

About 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide

2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide (PubChem CID 158772055) has the molecular formula C129H153F3N36O19 and a molecular weight of 2568.87 g/mol. Its IUPAC name is 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide
PubChem CID158772055
Molecular FormulaC129H153F3N36O19
Molecular Weight2568.87 g/mol
Exact Mass2567.21
IUPAC Name2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide
SMILESCCNC(=O)Cn1nc(-c2ccc(N3CC(COC(F)(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)CC4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3CCOCC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(NC34CC(O)(C3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC12CC(C1)C2
InChIInChI=1S/C21H23N5O2.C21H27N5O2.C18H20F3N5O3.C18H21N5O3.C18H23N5O3.C17H20N6O3.C16H19N5O3/c27-18(24-21-8-14(9-21)10-21)12-26-19(28)4-2-16(25-26)15-1-3-17(22-11-15)23-20-5-13(6-20)7-20;1-2-22-19(27)14-26-20(28)6-4-17(25-26)16-3-5-18(23-13-16)24-21-10-7-15(8-11-21)9-12-21;1-2-22-16(27)10-26-17(28)6-4-14(24-26)13-3-5-15(23-7-13)25-8-12(9-25)11-29-18(19,20)21;1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13;1-2-19-17(24)12-23-18(25)6-4-15(22-23)13-3-5-16(20-11-13)21-14-7-9-26-10-8-14;1-2-18-13(24)7-23-14(25)4-3-12(22-23)11-5-19-15(20-6-11)21-16-8-17(26,9-16)10-16;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/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,27);3-6,13,15H,2,7-12,14H2,1H3,(H,22,27)(H,23,24);3-7,12H,2,8-11H2,1H3,(H,22,27);3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24);3-6,11,14H,2,7-10,12H2,1H3,(H,19,24)(H,20,21);3-6,26H,2,7-10H2,1H3,(H,18,24)(H,19,20,21);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19)
InChIKeyIPZMHMHOCYJRKG-UHFFFAOYSA-N
XLogP7.55
TPSA674.83 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds42
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002568.87
LogP ≤ 57.55
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Analyze 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-cyclobutylacetamide;2-[3-[2-(1-bicyclo[1.1.1]pentanylamino)pyrimidin-5-yl]-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;N-ethyl-2-[3-[6-(methylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[2-[2-(trifluoromethoxy)ethoxy]pyrimidin-5-yl]pyridazin-1-yl]acetamide;N-ethyl-2-[6-oxo-3-[6-[2-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide
CID 158240691
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
CID 162065146
CID 162065146

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide (CID 158772055) is 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide is CCNC(=O)Cn1nc(-c2ccc(N3CC(COC(F)(F)F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(N3CC4CC(C3)O4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC34CCC(CC3)CC4)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3CCOCC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(NC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2cnc(NC34CC(O)(C3)C4)nc2)ccc1=O.O=C(Cn1nc(-c2ccc(NC34CC(C3)C4)nc2)ccc1=O)NC12CC(C1)C2.
What is the InChIKey of 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide?
The InChIKey is IPZMHMHOCYJRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.C21H27N5O2.C18H20F3N5O3.C18H21N5O3.C18H23N5O3.C17H20N6O3.C16H19N5O3/c27-18(24-21-8-14(9-21)10-21)12-26-19(28)4-2-16(25-26)15-1-3-17(22-11-15)23-20-5-13(6-20)7-20;1-2-22-19(27)14-26-20(28)6-4-17(25-26)16-3-5-18(23-13-16)24-21-10-7-15(8-11-21)9-12-21;1-2-22-16(27)10-26-17(28)6-4-14(24-26)13-3-5-15(23-7-13)25-8-12(9-25)11-29-18(19,20)21;1-2-19-17(24)11-23-18(25)6-4-15(21-23)12-3-5-16(20-8-12)22-9-13-7-14(10-22)26-13;1-2-19-17(24)12-23-18(25)6-4-15(22-23)13-3-5-16(20-11-13)21-14-7-9-26-10-8-14;1-2-18-13(24)7-23-14(25)4-3-12(22-23)11-5-19-15(20-6-11)21-16-8-17(26,9-16)10-16;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/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,27);3-6,13,15H,2,7-12,14H2,1H3,(H,22,27)(H,23,24);3-7,12H,2,8-11H2,1H3,(H,22,27);3-6,8,13-14H,2,7,9-11H2,1H3,(H,19,24);3-6,11,14H,2,7-10,12H2,1H3,(H,19,24)(H,20,21);3-6,26H,2,7-10H2,1H3,(H,18,24)(H,19,20,21);3-7,12H,2,8-10H2,1H3,(H,17,22)(H,18,19).
What are the key properties of 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide?
2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide has a molecular weight of 2568.87 g/mol, XLogP of 7.55, 42 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(1-bicyclo[2.2.2]octanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;N-(1-bicyclo[1.1.1]pentanyl)-2-[3-[6-(1-bicyclo[1.1.1]pentanylamino)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[2-[(3-hydroxy-1-bicyclo[1.1.1]pentanyl)amino]pyrimidin-5-yl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxan-4-ylamino)-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-[3-(trifluoromethoxymethyl)azetidin-1-yl]-3-pyridinyl]pyridazin-1-yl]acetamide is sourced from PubChem (CID 158772055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).