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

C68H55F2N13O8S2 — CID 159784053

IUPAC2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)ccn2)nc1C.Cc1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1.O=C(Cc1ccccn1)c1cncc(Oc2cccnc2)c1
InChIInChI=1S/C18H16N4O2.C17H13F2N3O2S.C17H13N3O2.C16H13N3O2S/c1-12-3-4-14(22-13(12)2)7-18(23)17-8-15(5-6-21-17)24-16-9-19-11-20-10-16;1-17(18,19)15-10-25-16(22-15)6-14(23)11-5-13(9-21-7-11)24-12-3-2-4-20-8-12;21-17(9-14-4-1-2-7-20-14)13-8-16(12-19-10-13)22-15-5-3-6-18-11-15;1-11-10-22-16(19-11)6-15(20)12-5-14(9-18-7-12)21-13-3-2-4-17-8-13/h3-6,8-11H,7H2,1-2H3;2-5,7-10H,6H2,1H3;1-8,10-12H,9H2;2-5,7-10H,6H2,1H3
InChIKeyNHSPCUXZSVLCJZ-UHFFFAOYSA-N
MW1284.40 g/mol
LogP13.91
Rot. Bonds21

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

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone (PubChem CID 159784053) has the molecular formula C68H55F2N13O8S2 and a molecular weight of 1284.40 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
PubChem CID159784053
Molecular FormulaC68H55F2N13O8S2
Molecular Weight1284.40 g/mol
Exact Mass1283.37
IUPAC Name2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)ccn2)nc1C.Cc1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1.O=C(Cc1ccccn1)c1cncc(Oc2cccnc2)c1
InChIInChI=1S/C18H16N4O2.C17H13F2N3O2S.C17H13N3O2.C16H13N3O2S/c1-12-3-4-14(22-13(12)2)7-18(23)17-8-15(5-6-21-17)24-16-9-19-11-20-10-16;1-17(18,19)15-10-25-16(22-15)6-14(23)11-5-13(9-21-7-11)24-12-3-2-4-20-8-12;21-17(9-14-4-1-2-7-20-14)13-8-16(12-19-10-13)22-15-5-3-6-18-11-15;1-11-10-22-16(19-11)6-15(20)12-5-14(9-18-7-12)21-13-3-2-4-17-8-13/h3-6,8-11H,7H2,1-2H3;2-5,7-10H,6H2,1H3;1-8,10-12H,9H2;2-5,7-10H,6H2,1H3
InChIKeyNHSPCUXZSVLCJZ-UHFFFAOYSA-N
XLogP13.91
TPSA272.77 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001284.40
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(4-Bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-2-pyridinyl)ethanone
CID 123280801
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(1,3-thiazol-2-yl)ethanone;1-(3-methyl-5-pyrimidin-5-yloxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(3-pyrimidin-5-yloxyphenyl)ethanone
CID 123315204
2-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(1-methyl-1,2,4-triazol-3-yl)-1-(3-pyridin-3-yloxyphenyl)ethanone;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 123379050
2-[6-(1,1-Difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 123597482
1-(3-Chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone
CID 123865526
6-(1,1-difluoroethyl)-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;2-(1,1-difluoroethyl)-N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide;4-ethynyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)thiophene-2-carboxamide;4-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 123921060
2-Cycloheptyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123965770
4-[5-[4-methyl-2-[(4-pyrimidin-5-yloxypyridine-2-carbonyl)amino]-1,3-thiazol-5-yl]pyridin-3-yl]oxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 144158234
1-(3-Chloro-5-pyrimidin-5-yloxyphenyl)-2-(5,6-dimethyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1-fluoroethyl)-2-pyridinyl]ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;methane;1-(3-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 157596118
1-(3-Chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(1,1-difluoroethyl)-2-pyridinyl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(4-fluoro-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 157815086
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methoxypyridine-2-carboxamide;bis(N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide);N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;methane
CID 157835730

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
The IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone (CID 159784053) is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone is CC(F)(F)c1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)ccn2)nc1C.Cc1csc(CC(=O)c2cncc(Oc3cccnc3)c2)n1.O=C(Cc1ccccn1)c1cncc(Oc2cccnc2)c1.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
The InChIKey is NHSPCUXZSVLCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C17H13F2N3O2S.C17H13N3O2.C16H13N3O2S/c1-12-3-4-14(22-13(12)2)7-18(23)17-8-15(5-6-21-17)24-16-9-19-11-20-10-16;1-17(18,19)15-10-25-16(22-15)6-14(23)11-5-13(9-21-7-11)24-12-3-2-4-20-8-12;21-17(9-14-4-1-2-7-20-14)13-8-16(12-19-10-13)22-15-5-3-6-18-11-15;1-11-10-22-16(19-11)6-15(20)12-5-14(9-18-7-12)21-13-3-2-4-17-8-13/h3-6,8-11H,7H2,1-2H3;2-5,7-10H,6H2,1H3;1-8,10-12H,9H2;2-5,7-10H,6H2,1H3.
What are the key properties of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone?
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone has a molecular weight of 1284.40 g/mol, XLogP of 13.91, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-1,3-thiazol-2-yl)-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone;2-pyridin-2-yl-1-(5-pyridin-3-yloxy-3-pyridinyl)ethanone is sourced from PubChem (CID 159784053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).