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

C70H63F2N15O9 — CID 123965770

IUPAC2-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
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.O=C(CC1CCCCCC1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C18H14F2N4O2.C18H21N3O2.C17H14N4O3.C17H14N4O2/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;22-18(9-14-5-3-1-2-4-6-14)17-10-15(7-8-21-17)23-16-11-19-13-20-12-16;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;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15/h2-6,8-11H,7H2,1H3;7-8,10-14H,1-6,9H2;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3
InChIKeyATJBKKXIWVBSKT-UHFFFAOYSA-N
MW1296.37 g/mol
LogP13.09
Rot. Bonds22

About 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

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 (PubChem CID 123965770) has the molecular formula C70H63F2N15O9 and a molecular weight of 1296.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID123965770
Molecular FormulaC70H63F2N15O9
Molecular Weight1296.37 g/mol
Exact Mass1295.49
IUPAC Name2-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
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.O=C(CC1CCCCCC1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C18H14F2N4O2.C18H21N3O2.C17H14N4O3.C17H14N4O2/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;22-18(9-14-5-3-1-2-4-6-14)17-10-15(7-8-21-17)23-16-11-19-13-20-12-16;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;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15/h2-6,8-11H,7H2,1H3;7-8,10-14H,1-6,9H2;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3
InChIKeyATJBKKXIWVBSKT-UHFFFAOYSA-N
XLogP13.09
TPSA307.78 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.37
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 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 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

1-(3-Fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methoxy-2-pyridinyl)ethanone
CID 58318702
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318706
2-[4-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318716
2-[6-(1,1-Difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318781
2-[5-Fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349217
2-(3-Fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349221
2-(6-Fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349243
2-(4-Fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349253
2-(5-Fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
2-[5-Fluoro-6-(fluoromethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349280
2-(3-Fluoro-5-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349282
2-(6-Ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349284

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.O=C(CC1CCCCCC1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 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?
The InChIKey is ATJBKKXIWVBSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2.C18H21N3O2.C17H14N4O3.C17H14N4O2/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;22-18(9-14-5-3-1-2-4-6-14)17-10-15(7-8-21-17)23-16-11-19-13-20-12-16;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;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15/h2-6,8-11H,7H2,1H3;7-8,10-14H,1-6,9H2;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1296.37 g/mol, XLogP of 13.09, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123965770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).