3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine

C125H107Cl7F4N20O7 — CID 158984581

IUPAC3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine
SMILESCNc1ncc(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)cn1.COc1ncc(Cc2cccnc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.Cc1ccc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)nn1.FC(F)Oc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H14ClF2N3O.C18H17ClN4O.3C18H16ClN3O.C18H15ClN2O.C17H13ClF2N2O/c1-11-5-6-15(24-23-11)7-12-8-16(13-3-2-4-14(19)9-13)17(22-10-12)25-18(20)21;1-20-18-22-10-13(11-23-18)6-12-7-16(17(24-2)21-9-12)14-4-3-5-15(19)8-14;3*1-12-20-10-14(11-21-12)6-13-7-17(18(23-2)22-9-13)15-4-3-5-16(19)8-15;1-22-18-17(15-5-2-6-16(19)10-15)9-14(12-21-18)8-13-4-3-7-20-11-13;18-14-3-1-2-13(8-14)15-7-12(6-11-4-5-21-9-11)10-22-16(15)23-17(19)20/h2-6,8-10,18H,7H2,1H3;3-5,7-11H,6H2,1-2H3,(H,20,22,23);3*3-5,7-11H,6H2,1-2H3;2-7,9-12H,8H2,1H3;1-4,7-10,17H,5-6H2
InChIKeyJPKLZKJAZPKALM-UHFFFAOYSA-N
MW2325.53 g/mol
LogP29.78
Rot. Bonds31

About 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine

3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine (PubChem CID 158984581) has the molecular formula C125H107Cl7F4N20O7 and a molecular weight of 2325.53 g/mol. Its IUPAC name is 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine.

Molecular Properties

Compound Name3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine
PubChem CID158984581
Molecular FormulaC125H107Cl7F4N20O7
Molecular Weight2325.53 g/mol
Exact Mass2320.64
IUPAC Name3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine
SMILESCNc1ncc(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)cn1.COc1ncc(Cc2cccnc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.Cc1ccc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)nn1.FC(F)Oc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C18H14ClF2N3O.C18H17ClN4O.3C18H16ClN3O.C18H15ClN2O.C17H13ClF2N2O/c1-11-5-6-15(24-23-11)7-12-8-16(13-3-2-4-14(19)9-13)17(22-10-12)25-18(20)21;1-20-18-22-10-13(11-23-18)6-12-7-16(17(24-2)21-9-12)14-4-3-5-15(19)8-14;3*1-12-20-10-14(11-21-12)6-13-7-17(18(23-2)22-9-13)15-4-3-5-16(19)8-15;1-22-18-17(15-5-2-6-16(19)10-15)9-14(12-21-18)8-13-4-3-7-20-11-13;18-14-3-1-2-13(8-14)15-7-12(6-11-4-5-21-9-11)10-22-16(15)23-17(19)20/h2-6,8-10,18H,7H2,1H3;3-5,7-11H,6H2,1-2H3,(H,20,22,23);3*3-5,7-11H,6H2,1-2H3;2-7,9-12H,8H2,1H3;1-4,7-10,17H,5-6H2
InChIKeyJPKLZKJAZPKALM-UHFFFAOYSA-N
XLogP29.78
TPSA321.02 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms163
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002325.53
LogP ≤ 529.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
The IUPAC name of 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine (CID 158984581) is 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine.
What is the SMILES notation for 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
The canonical SMILES for 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine is CNc1ncc(Cc2cnc(OC)c(-c3cccc(Cl)c3)c2)cn1.COc1ncc(Cc2cccnc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.COc1ncc(Cc2cnc(C)nc2)cc1-c1cccc(Cl)c1.Cc1ccc(Cc2cnc(OC(F)F)c(-c3cccc(Cl)c3)c2)nn1.FC(F)Oc1ncc(CC2=CCN=C2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
The InChIKey is JPKLZKJAZPKALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O.C18H17ClN4O.3C18H16ClN3O.C18H15ClN2O.C17H13ClF2N2O/c1-11-5-6-15(24-23-11)7-12-8-16(13-3-2-4-14(19)9-13)17(22-10-12)25-18(20)21;1-20-18-22-10-13(11-23-18)6-12-7-16(17(24-2)21-9-12)14-4-3-5-15(19)8-14;3*1-12-20-10-14(11-21-12)6-13-7-17(18(23-2)22-9-13)15-4-3-5-16(19)8-15;1-22-18-17(15-5-2-6-16(19)10-15)9-14(12-21-18)8-13-4-3-7-20-11-13;18-14-3-1-2-13(8-14)15-7-12(6-11-4-5-21-9-11)10-22-16(15)23-17(19)20/h2-6,8-10,18H,7H2,1H3;3-5,7-11H,6H2,1-2H3,(H,20,22,23);3*3-5,7-11H,6H2,1-2H3;2-7,9-12H,8H2,1H3;1-4,7-10,17H,5-6H2.
What are the key properties of 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine?
3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine has a molecular weight of 2325.53 g/mol, XLogP of 29.78, 31 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorophenyl)-6-(difluoromethoxy)-3-pyridinyl]methyl]-6-methylpyridazine;3-(3-chlorophenyl)-2-(difluoromethoxy)-5-(2H-pyrrol-4-ylmethyl)pyridine;5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N-methylpyrimidin-2-amine;tris(5-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-2-methylpyrimidine);3-(3-chlorophenyl)-2-methoxy-5-(pyridin-3-ylmethyl)pyridine is sourced from PubChem (CID 158984581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).