2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine

C166H148Cl2FN33O7S4 — CID 163471116

IUPAC2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
SMILESCc1cc(NCc2cn(-c3ccc(Oc4ccccc4)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)c(F)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc(Cl)n1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccn1.Cc1cc(NCc2cnc(-c3ccc(C4CC4)cc3)s2)ccn1.Cc1cc(NCc2cnc(-c3ccc(OC(C)C)cc3)s2)ccn1.Cc1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1
InChIInChI=1S/C22H16N4OS.C22H19N3OS.2C21H18ClN5O.C21H18FN5O.C21H19N5O.C19H21N3OS.C19H19N3S/c1-23-21-13-17(11-12-24-21)25-14-20-15-26-22(28-20)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18;1-16-13-18(11-12-23-16)24-14-21-15-25-22(27-21)17-7-9-20(10-8-17)26-19-5-3-2-4-6-19;1-15-11-16(12-21(22)24-15)23-13-17-14-27(26-25-17)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19;2*1-15-11-16(9-10-23-15)24-13-17-14-27(26-25-17)18-7-8-21(20(22)12-18)28-19-5-3-2-4-6-19;1-16-13-17(11-12-22-16)23-14-18-15-26(25-24-18)19-7-9-21(10-8-19)27-20-5-3-2-4-6-20;1-13(2)23-17-6-4-15(5-7-17)19-22-12-18(24-19)11-21-16-8-9-20-14(3)10-16;1-13-10-17(8-9-20-13)21-11-18-12-22-19(23-18)16-6-4-15(5-7-16)14-2-3-14/h2-13,15H,14H2,(H,24,25);2-13,15H,14H2,1H3,(H,23,24);3*2-12,14H,13H2,1H3,(H,23,24);2-13,15H,14H2,1H3,(H,22,23);4-10,12-13H,11H2,1-3H3,(H,20,21);4-10,12,14H,2-3,11H2,1H3,(H,20,21)
InChIKeyBWPRGAOOEMQOOO-UHFFFAOYSA-N
MW2935.41 g/mol
LogP40.94
Rot. Bonds47

About 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine

2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine (PubChem CID 163471116) has the molecular formula C166H148Cl2FN33O7S4 and a molecular weight of 2935.41 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
PubChem CID163471116
Molecular FormulaC166H148Cl2FN33O7S4
Molecular Weight2935.41 g/mol
Exact Mass2932.05
IUPAC Name2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
SMILESCc1cc(NCc2cn(-c3ccc(Oc4ccccc4)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)c(F)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc(Cl)n1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccn1.Cc1cc(NCc2cnc(-c3ccc(C4CC4)cc3)s2)ccn1.Cc1cc(NCc2cnc(-c3ccc(OC(C)C)cc3)s2)ccn1.Cc1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1
InChIInChI=1S/C22H16N4OS.C22H19N3OS.2C21H18ClN5O.C21H18FN5O.C21H19N5O.C19H21N3OS.C19H19N3S/c1-23-21-13-17(11-12-24-21)25-14-20-15-26-22(28-20)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18;1-16-13-18(11-12-23-16)24-14-21-15-25-22(27-21)17-7-9-20(10-8-17)26-19-5-3-2-4-6-19;1-15-11-16(12-21(22)24-15)23-13-17-14-27(26-25-17)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19;2*1-15-11-16(9-10-23-15)24-13-17-14-27(26-25-17)18-7-8-21(20(22)12-18)28-19-5-3-2-4-6-19;1-16-13-17(11-12-22-16)23-14-18-15-26(25-24-18)19-7-9-21(10-8-19)27-20-5-3-2-4-6-20;1-13(2)23-17-6-4-15(5-7-17)19-22-12-18(24-19)11-21-16-8-9-20-14(3)10-16;1-13-10-17(8-9-20-13)21-11-18-12-22-19(23-18)16-6-4-15(5-7-16)14-2-3-14/h2-13,15H,14H2,(H,24,25);2-13,15H,14H2,1H3,(H,23,24);3*2-12,14H,13H2,1H3,(H,23,24);2-13,15H,14H2,1H3,(H,22,23);4-10,12-13H,11H2,1-3H3,(H,20,21);4-10,12,14H,2-3,11H2,1H3,(H,20,21)
InChIKeyBWPRGAOOEMQOOO-UHFFFAOYSA-N
XLogP40.94
TPSA442.73 Ų
H-Bond Donors8
H-Bond Acceptors43
Rotatable Bonds47
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002935.41
LogP ≤ 540.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine 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-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
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;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
CID 163502381
2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine
CID 163582300
2-chloro-N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-6-methylpyridin-4-amine;2-chloro-N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-6-methylpyridin-4-amine;N-[[1-(3-chloro-4-cyclobutyloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]-2-isocyanopyridin-4-amine;N-[[1-(3-chloro-4-propan-2-yloxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-methyl-6-[[1-(4-phenoxyphenyl)triazol-4-yl]methylsulfanyl]pyrimidin-4-amine;2-[(2-methyl-4-pyridinyl)sulfanylmethyl]-6-phenoxy-1H-benzimidazole
CID 163595189
10-Chloro-3-(cyclopropylmethyl)-16,19-dimethyl-20-oxa-3,4,5,11,12,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;3-(cyclopropylmethyl)-5,10,16,19-tetramethyl-20-oxa-9-thia-3,4,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8(12),10,13(18),14,16,21,23-decaen-22-amine;3-ethyl-10,16-dimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;3-ethyl-9-fluoro-16,19-dimethyl-20-oxa-3,4,11,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,10,13(18),14,16,21,23-decaen-22-amine;3-ethyl-10,16,19-trimethyl-20-oxa-3,4,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2(6),4,8,11,13(18),14,16,21,23-decaen-22-amine
CID 165058934

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine (CID 163471116) is 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine is Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)c(Cl)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)c(F)c3)nn2)ccn1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc(Cl)n1.Cc1cc(NCc2cn(-c3ccc(Oc4ccccc4)cc3)nn2)ccn1.Cc1cc(NCc2cnc(-c3ccc(C4CC4)cc3)s2)ccn1.Cc1cc(NCc2cnc(-c3ccc(OC(C)C)cc3)s2)ccn1.Cc1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1.[C-]#[N+]c1cc(NCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1.
What is the InChIKey of 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
The InChIKey is BWPRGAOOEMQOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS.C22H19N3OS.2C21H18ClN5O.C21H18FN5O.C21H19N5O.C19H21N3OS.C19H19N3S/c1-23-21-13-17(11-12-24-21)25-14-20-15-26-22(28-20)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18;1-16-13-18(11-12-23-16)24-14-21-15-25-22(27-21)17-7-9-20(10-8-17)26-19-5-3-2-4-6-19;1-15-11-16(12-21(22)24-15)23-13-17-14-27(26-25-17)18-7-9-20(10-8-18)28-19-5-3-2-4-6-19;2*1-15-11-16(9-10-23-15)24-13-17-14-27(26-25-17)18-7-8-21(20(22)12-18)28-19-5-3-2-4-6-19;1-16-13-17(11-12-22-16)23-14-18-15-26(25-24-18)19-7-9-21(10-8-19)27-20-5-3-2-4-6-20;1-13(2)23-17-6-4-15(5-7-17)19-22-12-18(24-19)11-21-16-8-9-20-14(3)10-16;1-13-10-17(8-9-20-13)21-11-18-12-22-19(23-18)16-6-4-15(5-7-16)14-2-3-14/h2-13,15H,14H2,(H,24,25);2-13,15H,14H2,1H3,(H,23,24);3*2-12,14H,13H2,1H3,(H,23,24);2-13,15H,14H2,1H3,(H,22,23);4-10,12-13H,11H2,1-3H3,(H,20,21);4-10,12,14H,2-3,11H2,1H3,(H,20,21).
What are the key properties of 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine?
2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine has a molecular weight of 2935.41 g/mol, XLogP of 40.94, 47 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;N-[[1-(3-chloro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]methyl]-2-methylpyridin-4-amine;N-[[1-(3-fluoro-4-phenoxyphenyl)triazol-4-yl]methyl]-2-methylpyridin-4-amine;2-isocyano-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine;2-methyl-N-[[1-(4-phenoxyphenyl)triazol-4-yl]methyl]pyridin-4-amine;2-methyl-N-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 163471116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).