2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone

C90H81FN18O9S2 — CID 162027843

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
SMILESCC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC1CCC(CC(=O)c2cc(Oc3cccnc3)ccn2)CC1.CCc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.O=C(Cc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C19H17N3O2.C19H22N2O2.C18H17N5O.C18H12N4O2S.C16H13FN4O2S/c1-2-14-5-3-6-15(22-14)11-19(23)18-12-16(8-10-21-18)24-17-7-4-9-20-13-17;1-14-4-6-15(7-5-14)11-19(22)18-12-16(8-10-21-18)23-17-3-2-9-20-13-17;1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;23-16(8-18-22-14-3-1-2-4-17(14)25-18)15-7-12(5-6-21-15)24-13-9-19-11-20-10-13;1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12/h3-10,12-13H,2,11H2,1H3;2-3,8-10,12-15H,4-7,11H2,1H3;3-7,9-12H,8H2,1-2H3;1-7,9-11H,8H2;2-4,6-10H,5H2,1H3
InChIKeyYVPTVPAFYIYJGK-UHFFFAOYSA-N
MW1641.89 g/mol
LogP18.36
Rot. Bonds27

About 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone

2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone (PubChem CID 162027843) has the molecular formula C90H81FN18O9S2 and a molecular weight of 1641.89 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
PubChem CID162027843
Molecular FormulaC90H81FN18O9S2
Molecular Weight1641.89 g/mol
Exact Mass1640.59
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
SMILESCC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC1CCC(CC(=O)c2cc(Oc3cccnc3)ccn2)CC1.CCc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.O=C(Cc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C19H17N3O2.C19H22N2O2.C18H17N5O.C18H12N4O2S.C16H13FN4O2S/c1-2-14-5-3-6-15(22-14)11-19(23)18-12-16(8-10-21-18)24-17-7-4-9-20-13-17;1-14-4-6-15(7-5-14)11-19(22)18-12-16(8-10-21-18)23-17-3-2-9-20-13-17;1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;23-16(8-18-22-14-3-1-2-4-17(14)25-18)15-7-12(5-6-21-15)24-13-9-19-11-20-10-13;1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12/h3-10,12-13H,2,11H2,1H3;2-3,8-10,12-15H,4-7,11H2,1H3;3-7,9-12H,8H2,1-2H3;1-7,9-11H,8H2;2-4,6-10H,5H2,1H3
InChIKeyYVPTVPAFYIYJGK-UHFFFAOYSA-N
XLogP18.36
TPSA344.64 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001641.89
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(4-ethyl-1,3-thiazol-2-yl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-[6-(1-fluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-pyridin-2-yl-1-(3-pyridin-3-yloxyphenyl)ethanone
CID 157377899
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;3-[2-(4-fluoro-2-pyridinyl)acetyl]-5-pyrimidin-5-yloxybenzonitrile;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-1,3-oxazol-2-yl)ethanone
CID 159619945
2-(oxan-4-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 58349315
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349291
2-(6-chloro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone
CID 58349293
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
CID 123892434
bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 162083708
2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123785389
2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 159938840

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone (CID 162027843) is 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone is CC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC1CCC(CC(=O)c2cc(Oc3cccnc3)ccn2)CC1.CCc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.O=C(Cc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
The InChIKey is YVPTVPAFYIYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.C19H22N2O2.C18H17N5O.C18H12N4O2S.C16H13FN4O2S/c1-2-14-5-3-6-15(22-14)11-19(23)18-12-16(8-10-21-18)24-17-7-4-9-20-13-17;1-14-4-6-15(7-5-14)11-19(22)18-12-16(8-10-21-18)23-17-3-2-9-20-13-17;1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;23-16(8-18-22-14-3-1-2-4-17(14)25-18)15-7-12(5-6-21-15)24-13-9-19-11-20-10-13;1-10(17)14-8-24-16(21-14)5-15(22)13-4-11(2-3-20-13)23-12-6-18-9-19-7-12/h3-10,12-13H,2,11H2,1H3;2-3,8-10,12-15H,4-7,11H2,1H3;3-7,9-12H,8H2,1-2H3;1-7,9-11H,8H2;2-4,6-10H,5H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone?
2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone has a molecular weight of 1641.89 g/mol, XLogP of 18.36, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methylcyclohexyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone is sourced from PubChem (CID 162027843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).