2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C83H66F3N19O11S2 — CID 160535150

IUPAC2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cncc(Oc3cccnc3)c2)sc1F.Cc1nsc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1
InChIInChI=1S/C18H14F2N4O2.C17H14N4O3.C17H14N4O2.C16H12FN3O2S.C15H12N4O2S/c1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;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;1-10-16(17)23-15(20-10)6-14(21)11-5-13(9-19-7-11)22-12-3-2-4-18-8-12;1-10-18-15(22-19-10)8-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-9-12/h2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;2-5,7-9H,6H2,1H3;2-7,9H,8H2,1H3
InChIKeyQWBBSULHHWWGFP-UHFFFAOYSA-N
MW1626.69 g/mol
LogP15.33
Rot. Bonds27

About 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 160535150) has the molecular formula C83H66F3N19O11S2 and a molecular weight of 1626.69 g/mol. Its IUPAC name is 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID160535150
Molecular FormulaC83H66F3N19O11S2
Molecular Weight1626.69 g/mol
Exact Mass1625.46
IUPAC Name2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cncc(Oc3cccnc3)c2)sc1F.Cc1nsc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1
InChIInChI=1S/C18H14F2N4O2.C17H14N4O3.C17H14N4O2.C16H12FN3O2S.C15H12N4O2S/c1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;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;1-10-16(17)23-15(20-10)6-14(21)11-5-13(9-19-7-11)22-12-3-2-4-18-8-12;1-10-18-15(22-19-10)8-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-9-12/h2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;2-5,7-9H,6H2,1H3;2-7,9H,8H2,1H3
InChIKeyQWBBSULHHWWGFP-UHFFFAOYSA-N
XLogP15.33
TPSA385.64 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms118
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001626.69
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 160535150) is 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cncc(Oc3cccnc3)c2)sc1F.Cc1nsc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.
What is the InChIKey of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is QWBBSULHHWWGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2.C17H14N4O3.C17H14N4O2.C16H12FN3O2S.C15H12N4O2S/c1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;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;1-10-16(17)23-15(20-10)6-14(21)11-5-13(9-19-7-11)22-12-3-2-4-18-8-12;1-10-18-15(22-19-10)8-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-9-12/h2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;2-5,7-9H,6H2,1H3;2-7,9H,8H2,1H3.
What are the key properties of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 1626.69 g/mol, XLogP of 15.33, 27 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-methyl-1,2,4-thiadiazol-5-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 160535150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).