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

C86H63Cl3F4N16O11S2 — CID 159619945

IUPAC1-(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
SMILESCC(F)c1csc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.CCc1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1coc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F.N#Cc1cc(Oc2cncnc2)cc(C(=O)Cc2cc(F)ccn2)c1
InChIInChI=1S/C19H16ClN3O2.C18H11FN4O2.C17H13ClFN3O2S.C16H11ClFN3O2S.C16H12FN3O3/c1-2-15-4-3-5-16(23-15)9-19(24)13-6-14(20)8-17(7-13)25-18-10-21-12-22-11-18;19-14-1-2-23-15(6-14)7-18(24)13-3-12(8-20)4-16(5-13)25-17-9-21-11-22-10-17;1-10(19)15-8-25-17(22-15)5-16(23)11-2-12(18)4-13(3-11)24-14-6-20-9-21-7-14;1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13;1-10-8-22-16(20-10)5-15(21)11-2-12(17)4-13(3-11)23-14-6-18-9-19-7-14/h3-8,10-12H,2,9H2,1H3;1-6,9-11H,7H2;2-4,6-10H,5H2,1H3;2-4,6-8H,5H2,1H3;2-4,6-9H,5H2,1H3
InChIKeyMNTPDCNNFLBHGT-UHFFFAOYSA-N
MW1743.04 g/mol
LogP19.62
Rot. Bonds27

About 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

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 (PubChem CID 159619945) has the molecular formula C86H63Cl3F4N16O11S2 and a molecular weight of 1743.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159619945
Molecular FormulaC86H63Cl3F4N16O11S2
Molecular Weight1743.04 g/mol
Exact Mass1740.33
IUPAC Name1-(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
SMILESCC(F)c1csc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.CCc1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1coc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F.N#Cc1cc(Oc2cncnc2)cc(C(=O)Cc2cc(F)ccn2)c1
InChIInChI=1S/C19H16ClN3O2.C18H11FN4O2.C17H13ClFN3O2S.C16H11ClFN3O2S.C16H12FN3O3/c1-2-15-4-3-5-16(23-15)9-19(24)13-6-14(20)8-17(7-13)25-18-10-21-12-22-11-18;19-14-1-2-23-15(6-14)7-18(24)13-3-12(8-20)4-16(5-13)25-17-9-21-11-22-10-17;1-10(19)15-8-25-17(22-15)5-16(23)11-2-12(18)4-13(3-11)24-14-6-20-9-21-7-14;1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13;1-10-8-22-16(20-10)5-15(21)11-2-12(17)4-13(3-11)23-14-6-18-9-19-7-14/h3-8,10-12H,2,9H2,1H3;1-6,9-11H,7H2;2-4,6-10H,5H2,1H3;2-4,6-8H,5H2,1H3;2-4,6-9H,5H2,1H3
InChIKeyMNTPDCNNFLBHGT-UHFFFAOYSA-N
XLogP19.62
TPSA361.78 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.04
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)c1csc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.CCc1cccc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1coc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F.N#Cc1cc(Oc2cncnc2)cc(C(=O)Cc2cc(F)ccn2)c1.
What is the InChIKey of 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?
The InChIKey is MNTPDCNNFLBHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2.C18H11FN4O2.C17H13ClFN3O2S.C16H11ClFN3O2S.C16H12FN3O3/c1-2-15-4-3-5-16(23-15)9-19(24)13-6-14(20)8-17(7-13)25-18-10-21-12-22-11-18;19-14-1-2-23-15(6-14)7-18(24)13-3-12(8-20)4-16(5-13)25-17-9-21-11-22-10-17;1-10(19)15-8-25-17(22-15)5-16(23)11-2-12(18)4-13(3-11)24-14-6-20-9-21-7-14;1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13;1-10-8-22-16(20-10)5-15(21)11-2-12(17)4-13(3-11)23-14-6-18-9-19-7-14/h3-8,10-12H,2,9H2,1H3;1-6,9-11H,7H2;2-4,6-10H,5H2,1H3;2-4,6-8H,5H2,1H3;2-4,6-9H,5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1743.04 g/mol, XLogP of 19.62, 27 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159619945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).