2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C106H99FN18O12S — CID 158317180

IUPAC2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCCc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1F.O=C(CC1CCCCC1)c1cc(Oc2cccnc2)ccn1.O=C(CC1CCCCCC1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H22N2O2.C18H16N4O2.2C18H15N3O2.C18H20N2O2.C15H11FN4O2S/c22-19(12-15-6-3-1-2-4-7-15)18-13-16(9-11-21-18)23-17-8-5-10-20-14-17;1-2-13-3-5-21-14(7-13)8-18(23)17-9-15(4-6-22-17)24-16-10-19-12-20-11-16;1-13-4-2-5-14(21-13)10-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16;1-13-4-5-14(21-11-13)9-18(22)17-10-15(6-8-20-17)23-16-3-2-7-19-12-16;21-18(11-14-5-2-1-3-6-14)17-12-15(8-10-20-17)22-16-7-4-9-19-13-16;1-9-15(16)23-14(20-9)5-13(21)12-4-10(2-3-19-12)22-11-6-17-8-18-7-11/h5,8-11,13-15H,1-4,6-7,12H2;3-7,9-12H,2,8H2,1H3;2-9,11-12H,10H2,1H3;2-8,10-12H,9H2,1H3;4,7-10,12-14H,1-3,5-6,11H2;2-4,6-8H,5H2,1H3
InChIKeyGOKAVWMHYFKYCS-UHFFFAOYSA-N
MW1868.14 g/mol
LogP22.07
Rot. Bonds31

About 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 158317180) has the molecular formula C106H99FN18O12S and a molecular weight of 1868.14 g/mol. Its IUPAC name is 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID158317180
Molecular FormulaC106H99FN18O12S
Molecular Weight1868.14 g/mol
Exact Mass1866.74
IUPAC Name2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCCc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1F.O=C(CC1CCCCC1)c1cc(Oc2cccnc2)ccn1.O=C(CC1CCCCCC1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H22N2O2.C18H16N4O2.2C18H15N3O2.C18H20N2O2.C15H11FN4O2S/c22-19(12-15-6-3-1-2-4-7-15)18-13-16(9-11-21-18)23-17-8-5-10-20-14-17;1-2-13-3-5-21-14(7-13)8-18(23)17-9-15(4-6-22-17)24-16-10-19-12-20-11-16;1-13-4-2-5-14(21-13)10-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16;1-13-4-5-14(21-11-13)9-18(22)17-10-15(6-8-20-17)23-16-3-2-7-19-12-16;21-18(11-14-5-2-1-3-6-14)17-12-15(8-10-20-17)22-16-7-4-9-19-13-16;1-9-15(16)23-14(20-9)5-13(21)12-4-10(2-3-19-12)22-11-6-17-8-18-7-11/h5,8-11,13-15H,1-4,6-7,12H2;3-7,9-12H,2,8H2,1H3;2-9,11-12H,10H2,1H3;2-8,10-12H,9H2,1H3;4,7-10,12-14H,1-3,5-6,11H2;2-4,6-8H,5H2,1H3
InChIKeyGOKAVWMHYFKYCS-UHFFFAOYSA-N
XLogP22.07
TPSA389.82 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.14
LogP ≤ 522.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 158317180) is 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is CCc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)sc1F.O=C(CC1CCCCC1)c1cc(Oc2cccnc2)ccn1.O=C(CC1CCCCCC1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is GOKAVWMHYFKYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C18H16N4O2.2C18H15N3O2.C18H20N2O2.C15H11FN4O2S/c22-19(12-15-6-3-1-2-4-7-15)18-13-16(9-11-21-18)23-17-8-5-10-20-14-17;1-2-13-3-5-21-14(7-13)8-18(23)17-9-15(4-6-22-17)24-16-10-19-12-20-11-16;1-13-4-2-5-14(21-13)10-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16;1-13-4-5-14(21-11-13)9-18(22)17-10-15(6-8-20-17)23-16-3-2-7-19-12-16;21-18(11-14-5-2-1-3-6-14)17-12-15(8-10-20-17)22-16-7-4-9-19-13-16;1-9-15(16)23-14(20-9)5-13(21)12-4-10(2-3-19-12)22-11-6-17-8-18-7-11/h5,8-11,13-15H,1-4,6-7,12H2;3-7,9-12H,2,8H2,1H3;2-9,11-12H,10H2,1H3;2-8,10-12H,9H2,1H3;4,7-10,12-14H,1-3,5-6,11H2;2-4,6-8H,5H2,1H3.
What are the key properties of 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 1868.14 g/mol, XLogP of 22.07, 31 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-cyclohexyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 158317180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).