bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone

C96H79Cl4N15O10 — CID 159437394

IUPACbis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESC#Cc1ccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1
InChIInChI=1S/C20H15N3O2.4C19H16ClN3O2/c1-3-15-6-7-16(22-12-15)10-20(24)19-11-18(9-14(2)23-19)25-17-5-4-8-21-13-17;2*1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17;2*1-12-4-3-5-15(22-12)8-19(24)18-9-16(6-13(2)23-18)25-17-7-14(20)10-21-11-17/h1,4-9,11-13H,10H2,2H3;2*3-6,8-11H,7H2,1-2H3;2*3-7,9-11H,8H2,1-2H3
InChIKeyLRTBYKWLXXFMLE-UHFFFAOYSA-N
MW1744.59 g/mol
LogP20.82
Rot. Bonds25

About bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone

bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 159437394) has the molecular formula C96H79Cl4N15O10 and a molecular weight of 1744.59 g/mol. Its IUPAC name is bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Namebis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID159437394
Molecular FormulaC96H79Cl4N15O10
Molecular Weight1744.59 g/mol
Exact Mass1741.49
IUPAC Namebis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESC#Cc1ccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1
InChIInChI=1S/C20H15N3O2.4C19H16ClN3O2/c1-3-15-6-7-16(22-12-15)10-20(24)19-11-18(9-14(2)23-19)25-17-5-4-8-21-13-17;2*1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17;2*1-12-4-3-5-15(22-12)8-19(24)18-9-16(6-13(2)23-18)25-17-7-14(20)10-21-11-17/h1,4-9,11-13H,10H2,2H3;2*3-6,8-11H,7H2,1-2H3;2*3-7,9-11H,8H2,1-2H3
InChIKeyLRTBYKWLXXFMLE-UHFFFAOYSA-N
XLogP20.82
TPSA324.85 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001744.59
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-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

2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 159437395
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158795728
6-[2-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-oxoethyl]pyridine-3-carbonitrile
CID 161413591
2-(5-fluoro-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 157270549
2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-ethynyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-methyl-2-pyridinyl)ethanone
CID 159938840
bis(1-[6-(difluoromethyl)-4-pyrimidin-5-yloxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 162083708
2-[5-(1,1-difluoroethyl)-2-pyridinyl]-1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(6-ethyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-methyl-2-pyridinyl)-1-[6-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]ethanone
CID 157255302
1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-ethyl-2-pyridinyl)ethanone;tris(1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone)
CID 158496788
5-[[2-[2-(5-fluoro-2-pyridinyl)acetyl]-6-methyl-4-pyridinyl]oxy]pyridine-3-carbonitrile
CID 157085610
N,6-dimethyl-4-pyridin-3-yloxypyridine-2-carboxamide
CID 123456700
1-[6-methyl-4-(3-methyloxetan-3-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
CID 159084658
1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158122955

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 159437394) is bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone is C#Cc1ccc(CC(=O)c2cc(Oc3cccnc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)n1.
What is the InChIKey of bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is LRTBYKWLXXFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.4C19H16ClN3O2/c1-3-15-6-7-16(22-12-15)10-20(24)19-11-18(9-14(2)23-19)25-17-5-4-8-21-13-17;2*1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17;2*1-12-4-3-5-15(22-12)8-19(24)18-9-16(6-13(2)23-18)25-17-7-14(20)10-21-11-17/h1,4-9,11-13H,10H2,2H3;2*3-6,8-11H,7H2,1-2H3;2*3-7,9-11H,8H2,1-2H3.
What are the key properties of bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone?
bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 1744.59 g/mol, XLogP of 20.82, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone);2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 159437394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).