1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone

C138H102F7N29O15 — CID 158036342

IUPAC1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone
SMILESCOc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1.O=C(Cc1ccccn1)c1cc(Oc2cncc(F)c2)cn2cnnc12.[2H]c1nc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)c([2H])c([2H])c1C
InChIInChI=1S/C20H15FN4O3.5C20H15FN4O2.C18H12FN5O2/c1-27-15-3-2-14(24-11-15)7-19(26)18-8-17(12-25-5-4-23-20(18)25)28-16-6-13(21)9-22-10-16;3*1-13-2-3-15(24-9-13)7-19(26)18-8-17(12-25-5-4-23-20(18)25)27-16-6-14(21)10-22-11-16;2*1-13-3-2-4-15(24-13)8-19(26)18-9-17(12-25-6-5-23-20(18)25)27-16-7-14(21)10-22-11-16;19-12-5-14(9-20-8-12)26-15-7-16(18-23-22-11-24(18)10-15)17(25)6-13-3-1-2-4-21-13/h2-6,8-12H,7H2,1H3;3*2-6,8-12H,7H2,1H3;2*2-7,9-12H,8H2,1H3;1-5,7-11H,6H2/i;2D,3D,9D;;;;;
InChIKeyFHUGBHYURPJYRL-RQCRKWBWSA-N
MW2542.53 g/mol
LogP25.31
Rot. Bonds36

About 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone

1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone (PubChem CID 158036342) has the molecular formula C138H102F7N29O15 and a molecular weight of 2542.53 g/mol. Its IUPAC name is 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone
PubChem CID158036342
Molecular FormulaC138H102F7N29O15
Molecular Weight2542.53 g/mol
Exact Mass2540.82
IUPAC Name1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone
SMILESCOc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1.O=C(Cc1ccccn1)c1cc(Oc2cncc(F)c2)cn2cnnc12.[2H]c1nc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)c([2H])c([2H])c1C
InChIInChI=1S/C20H15FN4O3.5C20H15FN4O2.C18H12FN5O2/c1-27-15-3-2-14(24-11-15)7-19(26)18-8-17(12-25-5-4-23-20(18)25)28-16-6-13(21)9-22-10-16;3*1-13-2-3-15(24-9-13)7-19(26)18-8-17(12-25-5-4-23-20(18)25)27-16-6-14(21)10-22-11-16;2*1-13-3-2-4-15(24-13)8-19(26)18-9-17(12-25-6-5-23-20(18)25)27-16-7-14(21)10-22-11-16;19-12-5-14(9-20-8-12)26-15-7-16(18-23-22-11-24(18)10-15)17(25)6-13-3-1-2-4-21-13/h2-6,8-12H,7H2,1H3;3*2-6,8-12H,7H2,1H3;2*2-7,9-12H,8H2,1H3;1-5,7-11H,6H2/i;2D,3D,9D;;;;;
InChIKeyFHUGBHYURPJYRL-RQCRKWBWSA-N
XLogP25.31
TPSA507.78 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds36
Heavy Atoms189
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002542.53
LogP ≤ 525.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Analyze 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone (CID 158036342) is 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone is COc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)n1.O=C(Cc1ccccn1)c1cc(Oc2cncc(F)c2)cn2cnnc12.[2H]c1nc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ccnc23)c([2H])c([2H])c1C.
What is the InChIKey of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
The InChIKey is FHUGBHYURPJYRL-RQCRKWBWSA-N. The full InChI is InChI=1S/C20H15FN4O3.5C20H15FN4O2.C18H12FN5O2/c1-27-15-3-2-14(24-11-15)7-19(26)18-8-17(12-25-5-4-23-20(18)25)28-16-6-13(21)9-22-10-16;3*1-13-2-3-15(24-9-13)7-19(26)18-8-17(12-25-5-4-23-20(18)25)27-16-6-14(21)10-22-11-16;2*1-13-3-2-4-15(24-13)8-19(26)18-9-17(12-25-6-5-23-20(18)25)27-16-7-14(21)10-22-11-16;19-12-5-14(9-20-8-12)26-15-7-16(18-23-22-11-24(18)10-15)17(25)6-13-3-1-2-4-21-13/h2-6,8-12H,7H2,1H3;3*2-6,8-12H,7H2,1H3;2*2-7,9-12H,8H2,1H3;1-5,7-11H,6H2/i;2D,3D,9D;;;;;.
What are the key properties of 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone?
1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone has a molecular weight of 2542.53 g/mol, XLogP of 25.31, 36 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]imidazo[1,2-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 158036342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).