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

C88H77F2N19O9S2 — CID 158452847

IUPAC2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H20N4O2S.C18H17N5O.C18H15N3O2.C17H13N3O2.C16H12F2N4O2S/c1-12-18(19(2,3)4)26-17(23-12)8-16(24)15-7-13(5-6-22-15)25-14-9-20-11-21-10-14;1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;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;1-16(17,18)14-8-25-15(22-14)5-13(23)12-4-10(2-3-21-12)24-11-6-19-9-20-7-11/h5-7,9-11H,8H2,1-4H3;3-7,9-12H,8H2,1-2H3;2-9,11-12H,10H2,1H3;1-9,11-12H,10H2;2-4,6-9H,5H2,1H3
InChIKeyHEFBVEKSUCIQGE-UHFFFAOYSA-N
MW1646.84 g/mol
LogP17.06
Rot. Bonds26

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

2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 158452847) has the molecular formula C88H77F2N19O9S2 and a molecular weight of 1646.84 g/mol. Its IUPAC name is 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID158452847
Molecular FormulaC88H77F2N19O9S2
Molecular Weight1646.84 g/mol
Exact Mass1645.56
IUPAC Name2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H20N4O2S.C18H17N5O.C18H15N3O2.C17H13N3O2.C16H12F2N4O2S/c1-12-18(19(2,3)4)26-17(23-12)8-16(24)15-7-13(5-6-22-15)25-14-9-20-11-21-10-14;1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;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;1-16(17,18)14-8-25-15(22-14)5-13(23)12-4-10(2-3-21-12)24-11-6-19-9-20-7-11/h5-7,9-11H,8H2,1-4H3;3-7,9-12H,8H2,1-2H3;2-9,11-12H,10H2,1H3;1-9,11-12H,10H2;2-4,6-9H,5H2,1H3
InChIKeyHEFBVEKSUCIQGE-UHFFFAOYSA-N
XLogP17.06
TPSA357.53 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001646.84
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-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-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 158452847) is 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is CC(F)(F)c1csc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cccc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is HEFBVEKSUCIQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C18H17N5O.C18H15N3O2.C17H13N3O2.C16H12F2N4O2S/c1-12-18(19(2,3)4)26-17(23-12)8-16(24)15-7-13(5-6-22-15)25-14-9-20-11-21-10-14;1-13-4-3-5-14(22-13)8-18(24)17-9-15(6-7-21-17)23(2)16-10-19-12-20-11-16;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;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;1-16(17,18)14-8-25-15(22-14)5-13(23)12-4-10(2-3-21-12)24-11-6-19-9-20-7-11/h5-7,9-11H,8H2,1-4H3;3-7,9-12H,8H2,1-2H3;2-9,11-12H,10H2,1H3;1-9,11-12H,10H2;2-4,6-9H,5H2,1H3.
What are the key properties of 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 1646.84 g/mol, XLogP of 17.06, 26 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 158452847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).