2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone

C67H60N12O9S2 — CID 123368623

IUPAC2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCOc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.Cc1cnc(CC(=O)c2cc(Oc3cccnc3)ccn2)s1.O=C(CC1CCCCCC1)c1cc(Oc2cccnc2)ccn1.O=C(Cc1nccs1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H22N2O2.C17H14N4O3.C16H13N3O2S.C15H11N3O2S/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;1-23-13-2-4-20-12(6-13)7-17(22)16-8-14(3-5-21-16)24-15-9-18-11-19-10-15;1-11-9-19-16(22-11)8-15(20)14-7-12(4-6-18-14)21-13-3-2-5-17-10-13;19-14(9-15-18-6-7-21-15)13-8-11(3-5-17-13)20-12-2-1-4-16-10-12/h5,8-11,13-15H,1-4,6-7,12H2;2-6,8-11H,7H2,1H3;2-7,9-10H,8H2,1H3;1-8,10H,9H2
InChIKeyBECBLLNDOXAZFV-UHFFFAOYSA-N
MW1241.43 g/mol
LogP13.92
Rot. Bonds21

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

2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 123368623) has the molecular formula C67H60N12O9S2 and a molecular weight of 1241.43 g/mol. Its IUPAC name is 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID123368623
Molecular FormulaC67H60N12O9S2
Molecular Weight1241.43 g/mol
Exact Mass1240.40
IUPAC Name2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCOc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.Cc1cnc(CC(=O)c2cc(Oc3cccnc3)ccn2)s1.O=C(CC1CCCCCC1)c1cc(Oc2cccnc2)ccn1.O=C(Cc1nccs1)c1cc(Oc2cccnc2)ccn1
InChIInChI=1S/C19H22N2O2.C17H14N4O3.C16H13N3O2S.C15H11N3O2S/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;1-23-13-2-4-20-12(6-13)7-17(22)16-8-14(3-5-21-16)24-15-9-18-11-19-10-15;1-11-9-19-16(22-11)8-15(20)14-7-12(4-6-18-14)21-13-3-2-5-17-10-13;19-14(9-15-18-6-7-21-15)13-8-11(3-5-17-13)20-12-2-1-4-16-10-12/h5,8-11,13-15H,1-4,6-7,12H2;2-6,8-11H,7H2,1H3;2-7,9-10H,8H2,1H3;1-8,10H,9H2
InChIKeyBECBLLNDOXAZFV-UHFFFAOYSA-N
XLogP13.92
TPSA269.11 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.43
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)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-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone (CID 123368623) is 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is COc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.Cc1cnc(CC(=O)c2cc(Oc3cccnc3)ccn2)s1.O=C(CC1CCCCCC1)c1cc(Oc2cccnc2)ccn1.O=C(Cc1nccs1)c1cc(Oc2cccnc2)ccn1.
What is the InChIKey of 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is BECBLLNDOXAZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C17H14N4O3.C16H13N3O2S.C15H11N3O2S/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;1-23-13-2-4-20-12(6-13)7-17(22)16-8-14(3-5-21-16)24-15-9-18-11-19-10-15;1-11-9-19-16(22-11)8-15(20)14-7-12(4-6-18-14)21-13-3-2-5-17-10-13;19-14(9-15-18-6-7-21-15)13-8-11(3-5-17-13)20-12-2-1-4-16-10-12/h5,8-11,13-15H,1-4,6-7,12H2;2-6,8-11H,7H2,1H3;2-7,9-10H,8H2,1H3;1-8,10H,9H2.
What are the key properties of 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone?
2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 1241.43 g/mol, XLogP of 13.92, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(5-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;1-(4-pyridin-3-yloxy-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 123368623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).