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

C84H67FN18O11S2 — CID 159941385

IUPAC2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(=O)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C18H15N3O2.C17H14N4O2.C17H13N3O2.C16H13FN4O2S.C16H12N4O3S/c1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;21-17(10-13-4-1-2-8-19-13)16-11-14(6-9-20-16)22-15-5-3-7-18-12-15;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;1-10(21)14-8-24-16(20-14)5-15(22)13-4-11(2-3-19-13)23-12-6-17-9-18-7-12/h2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3;1-9,11-12H,10H2;2-4,6-10H,5H2,1H3;2-4,6-9H,5H2,1H3
InChIKeyOAXRBBXEPIHTIY-UHFFFAOYSA-N
MW1587.71 g/mol
LogP15.60
Rot. Bonds27

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

2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 159941385) has the molecular formula C84H67FN18O11S2 and a molecular weight of 1587.71 g/mol. Its IUPAC name is 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID159941385
Molecular FormulaC84H67FN18O11S2
Molecular Weight1587.71 g/mol
Exact Mass1586.47
IUPAC Name2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(=O)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C18H15N3O2.C17H14N4O2.C17H13N3O2.C16H13FN4O2S.C16H12N4O3S/c1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;21-17(10-13-4-1-2-8-19-13)16-11-14(6-9-20-16)22-15-5-3-7-18-12-15;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;1-10(21)14-8-24-16(20-14)5-15(22)13-4-11(2-3-19-13)23-12-6-17-9-18-7-12/h2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3;1-9,11-12H,10H2;2-4,6-10H,5H2,1H3;2-4,6-9H,5H2,1H3
InChIKeyOAXRBBXEPIHTIY-UHFFFAOYSA-N
XLogP15.60
TPSA380.59 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001587.71
LogP ≤ 515.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 159941385) is 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is CC(=O)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is OAXRBBXEPIHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.C17H14N4O2.C17H13N3O2.C16H13FN4O2S.C16H12N4O3S/c1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;21-17(10-13-4-1-2-8-19-13)16-11-14(6-9-20-16)22-15-5-3-7-18-12-15;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;1-10(21)14-8-24-16(20-14)5-15(22)13-4-11(2-3-19-13)23-12-6-17-9-18-7-12/h2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3;1-9,11-12H,10H2;2-4,6-10H,5H2,1H3;2-4,6-9H,5H2,1H3.
What are the key properties of 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 1587.71 g/mol, XLogP of 15.60, 27 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 159941385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).