1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone

C108H124N12O18S2 — CID 161241790

IUPAC1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCc1cc(OC[C@@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1ccc(CC(=O)c2cc(OC[C@@H]3CCOC3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(OC[C@H]3CCOC3)cc(C)n2)nc1
InChIInChI=1S/2C19H22N2O3.2C18H20N2O3.2C17H20N2O3S/c2*1-13-3-4-16(20-10-13)8-19(22)18-9-17(7-14(2)21-18)24-12-15-5-6-23-11-15;2*1-13-8-16(23-12-14-5-7-22-11-14)10-17(20-13)18(21)9-15-4-2-3-6-19-15;2*1-11-5-14(22-9-13-3-4-21-8-13)6-15(18-11)16(20)7-17-19-12(2)10-23-17/h2*3-4,7,9-10,15H,5-6,8,11-12H2,1-2H3;2*2-4,6,8,10,14H,5,7,9,11-12H2,1H3;2*5-6,10,13H,3-4,7-9H2,1-2H3/t2*15-;2*14-;2*13-/m101010/s1
InChIKeyVACLIXKDHSADIZ-MUTYWDIASA-N
MW1942.38 g/mol
LogP17.11
Rot. Bonds36

About 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone

1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone (PubChem CID 161241790) has the molecular formula C108H124N12O18S2 and a molecular weight of 1942.38 g/mol. Its IUPAC name is 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
PubChem CID161241790
Molecular FormulaC108H124N12O18S2
Molecular Weight1942.38 g/mol
Exact Mass1940.86
IUPAC Name1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone
SMILESCc1cc(OC[C@@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1ccc(CC(=O)c2cc(OC[C@@H]3CCOC3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(OC[C@H]3CCOC3)cc(C)n2)nc1
InChIInChI=1S/2C19H22N2O3.2C18H20N2O3.2C17H20N2O3S/c2*1-13-3-4-16(20-10-13)8-19(22)18-9-17(7-14(2)21-18)24-12-15-5-6-23-11-15;2*1-13-8-16(23-12-14-5-7-22-11-14)10-17(20-13)18(21)9-15-4-2-3-6-19-15;2*1-11-5-14(22-9-13-3-4-21-8-13)6-15(18-11)16(20)7-17-19-12(2)10-23-17/h2*3-4,7,9-10,15H,5-6,8,11-12H2,1-2H3;2*2-4,6,8,10,14H,5,7,9,11-12H2,1H3;2*5-6,10,13H,3-4,7-9H2,1-2H3/t2*15-;2*14-;2*13-/m101010/s1
InChIKeyVACLIXKDHSADIZ-MUTYWDIASA-N
XLogP17.11
TPSA367.86 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.38
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone (CID 161241790) is 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone is Cc1cc(OC[C@@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC[C@@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC[C@H]2CCOC2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1ccc(CC(=O)c2cc(OC[C@@H]3CCOC3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(OC[C@H]3CCOC3)cc(C)n2)nc1.
What is the InChIKey of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
The InChIKey is VACLIXKDHSADIZ-MUTYWDIASA-N. The full InChI is InChI=1S/2C19H22N2O3.2C18H20N2O3.2C17H20N2O3S/c2*1-13-3-4-16(20-10-13)8-19(22)18-9-17(7-14(2)21-18)24-12-15-5-6-23-11-15;2*1-13-8-16(23-12-14-5-7-22-11-14)10-17(20-13)18(21)9-15-4-2-3-6-19-15;2*1-11-5-14(22-9-13-3-4-21-8-13)6-15(18-11)16(20)7-17-19-12(2)10-23-17/h2*3-4,7,9-10,15H,5-6,8,11-12H2,1-2H3;2*2-4,6,8,10,14H,5,7,9,11-12H2,1H3;2*5-6,10,13H,3-4,7-9H2,1-2H3/t2*15-;2*14-;2*13-/m101010/s1.
What are the key properties of 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone?
1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone has a molecular weight of 1942.38 g/mol, XLogP of 17.11, 36 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-[[(3S)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone;1-[6-methyl-4-[[(3R)-oxolan-3-yl]methoxy]-2-pyridinyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 161241790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).