2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine

C131H116Cl6F5N33O7S3 — CID 163619576

About 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine

2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine (PubChem CID 163619576) has the molecular formula C131H116Cl6F5N33O7S3 and a molecular weight of 2668.50 g/mol. Its IUPAC name is 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
• PubChem CID: 163619576
• Molecular Formula: C131H116Cl6F5N33O7S3
• Molecular Weight: 2668.50 g/mol
• Exact Mass: 2663.69
• IUPAC Name: 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
• SMILES: CC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(Cl)c3)s2)cc1.COc1ccc(-c2ncc(CNc3ccnc(C)c3)s2)cc1Cl.COc1ccc(-n2cc(CNc3ccnc(C)c3)nn2)cc1Cl.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4F)cc3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4cccnc4F)cc3)nn2)cc(Cl)n1.[C-]#[N+]c1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)cc(C#N)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)cc3)s2)cc(C(F)(F)F)n1
• InChI: InChI=1S/C21H18FN5O.C20H16ClFN6O.C20H17F3N4OS.C19H16ClN7O.C18H17Cl2N3OS.C17H16ClN3OS.C16H16ClN5O/c1-15-12-16(10-11-23-15)24-13-17-14-27(26-25-17)18-6-8-19(9-7-18)28-21-5-3-2-4-20(21)22;1-13-9-14(10-19(21)25-13)24-11-15-12-28(27-26-15)16-4-6-17(7-5-16)29-18-3-2-8-23-20(18)22;1-12(2)28-15-6-4-13(5-7-15)19-26-11-16(29-19)10-25-14-8-17(20(21,22)23)27-18(9-14)24-3;1-12(2)28-18-5-4-16(8-17(18)20)27-11-15(25-26-27)10-23-13-6-14(9-21)24-19(7-13)22-3;1-11(2)24-14-5-3-12(4-6-14)18-22-10-15(25-18)9-21-13-7-16(19)23-17(20)8-13;1-11-7-13(5-6-19-11)20-9-14-10-21-17(23-14)12-3-4-16(22-2)15(18)8-12;1-11-7-12(5-6-18-11)19-9-13-10-22(21-20-13)14-3-4-16(23-2)15(17)8-14/h2-12,14H,13H2,1H3,(H,23,24);2-10,12H,11H2,1H3,(H,24,25);4-9,11-12H,10H2,1-2H3,(H,25,27);4-8,11-12H,10H2,1-2H3,(H,23,24);3-8,10-11H,9H2,1-2H3,(H,21,23);3-8,10H,9H2,1-2H3,(H,19,20);3-8,10H,9H2,1-2H3,(H,18,19)
• InChIKey: HMYLKWUMZPHGRK-UHFFFAOYSA-N
• XLogP: 33.33
• TPSA: 445.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 40
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2668.50
LogP ≤ 5	33.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?

The IUPAC name of 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine (CID 163619576) is 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine.

What is the SMILES notation for 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?

The canonical SMILES for 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine is CC(C)Oc1ccc(-c2ncc(CNc3cc(Cl)nc(Cl)c3)s2)cc1.COc1ccc(-c2ncc(CNc3ccnc(C)c3)s2)cc1Cl.COc1ccc(-n2cc(CNc3ccnc(C)c3)nn2)cc1Cl.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4F)cc3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4cccnc4F)cc3)nn2)cc(Cl)n1.[C-]#[N+]c1cc(NCc2cn(-c3ccc(OC(C)C)c(Cl)c3)nn2)cc(C#N)n1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(OC(C)C)cc3)s2)cc(C(F)(F)F)n1.

What is the InChIKey of 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?

The InChIKey is HMYLKWUMZPHGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O.C20H16ClFN6O.C20H17F3N4OS.C19H16ClN7O.C18H17Cl2N3OS.C17H16ClN3OS.C16H16ClN5O/c1-15-12-16(10-11-23-15)24-13-17-14-27(26-25-17)18-6-8-19(9-7-18)28-21-5-3-2-4-20(21)22;1-13-9-14(10-19(21)25-13)24-11-15-12-28(27-26-15)16-4-6-17(7-5-16)29-18-3-2-8-23-20(18)22;1-12(2)28-15-6-4-13(5-7-15)19-26-11-16(29-19)10-25-14-8-17(20(21,22)23)27-18(9-14)24-3;1-12(2)28-18-5-4-16(8-17(18)20)27-11-15(25-26-27)10-23-13-6-14(9-21)24-19(7-13)22-3;1-11(2)24-14-5-3-12(4-6-14)18-22-10-15(25-18)9-21-13-7-16(19)23-17(20)8-13;1-11-7-13(5-6-19-11)20-9-14-10-21-17(23-14)12-3-4-16(22-2)15(18)8-12;1-11-7-12(5-6-18-11)19-9-13-10-22(21-20-13)14-3-4-16(23-2)15(17)8-14/h2-12,14H,13H2,1H3,(H,23,24);2-10,12H,11H2,1H3,(H,24,25);4-9,11-12H,10H2,1-2H3,(H,25,27);4-8,11-12H,10H2,1-2H3,(H,23,24);3-8,10-11H,9H2,1-2H3,(H,21,23);3-8,10H,9H2,1-2H3,(H,19,20);3-8,10H,9H2,1-2H3,(H,18,19).

What are the key properties of 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine?

2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine has a molecular weight of 2668.50 g/mol, XLogP of 33.33, 40 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[1-[4-[(2-fluoro-3-pyridinyl)oxy]phenyl]triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-chloro-4-methoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;4-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methylamino]-6-isocyanopyridine-2-carbonitrile;2,6-dichloro-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;N-[[1-[4-(2-fluorophenoxy)phenyl]triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 163619576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).