5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine

C198H167ClN50O13 — CID 159576552

IUPAC5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)ccn1.COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ncnc2c1.COc1nc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)c2cc[nH]c2n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5[nH]ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)c(Cl)c3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(N)c4)cc3)o2)c1
InChIInChI=1S/C24H20N6O2.C24H20N6O.C24H19N5O.C22H19N7O2.C22H18N6O.C21H19N5O2.C21H19N5O.C20H16ClN5O.C20H17N5O2/c1-15-4-3-5-17(12-15)27-24-28-22(29-30-24)16-6-8-18(9-7-16)32-23-20-11-10-19(31-2)13-21(20)25-14-26-23;1-15-5-4-6-17(13-15)26-24-28-23(29-30-24)16-9-11-18(12-10-16)31-21-14-22(25)27-20-8-3-2-7-19(20)21;1-16-5-4-6-18(15-16)26-24-27-23(28-29-24)17-9-11-19(12-10-17)30-22-13-14-25-21-8-3-2-7-20(21)22;1-13-4-3-5-15(12-13)24-21-25-18(28-29-21)14-6-8-16(9-7-14)31-20-17-10-11-23-19(17)26-22(27-20)30-2;1-14-3-2-4-16(13-14)25-22-26-20(27-28-22)15-5-7-17(8-6-15)29-19-10-12-24-21-18(19)9-11-23-21;1-14-4-3-5-16(12-14)23-21-24-20(25-26-21)15-6-8-17(9-7-15)28-18-10-11-22-19(13-18)27-2;1-14-4-3-5-17(12-14)23-21-24-20(25-26-21)16-6-8-18(9-7-16)27-19-10-11-22-15(2)13-19;1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-6-18(17(21)12-14)27-16-7-9-22-10-8-16;1-13-3-2-4-15(11-13)23-20-25-24-19(27-20)14-5-7-16(8-6-14)26-17-9-10-22-18(21)12-17/h3-14H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,25,27)(H2,26,28,29,30);2-15H,1H3,(H2,26,27,28,29);3-12H,1-2H3,(H,23,26,27)(H2,24,25,28,29);2-13H,1H3,(H,23,24)(H2,25,26,27,28);3-13H,1-2H3,(H2,23,24,25,26);3-13H,1-2H3,(H2,23,24,25,26);2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H,23,25)
InChIKeyMIMBNDIBWVKOFU-UHFFFAOYSA-N
MW3490.30 g/mol
LogP46.03
Rot. Bonds48

About 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine

5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 159576552) has the molecular formula C198H167ClN50O13 and a molecular weight of 3490.30 g/mol. Its IUPAC name is 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID159576552
Molecular FormulaC198H167ClN50O13
Molecular Weight3490.30 g/mol
Exact Mass3487.36
IUPAC Name5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)ccn1.COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ncnc2c1.COc1nc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)c2cc[nH]c2n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5[nH]ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)c(Cl)c3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(N)c4)cc3)o2)c1
InChIInChI=1S/C24H20N6O2.C24H20N6O.C24H19N5O.C22H19N7O2.C22H18N6O.C21H19N5O2.C21H19N5O.C20H16ClN5O.C20H17N5O2/c1-15-4-3-5-17(12-15)27-24-28-22(29-30-24)16-6-8-18(9-7-16)32-23-20-11-10-19(31-2)13-21(20)25-14-26-23;1-15-5-4-6-17(13-15)26-24-28-23(29-30-24)16-9-11-18(12-10-16)31-21-14-22(25)27-20-8-3-2-7-19(20)21;1-16-5-4-6-18(15-16)26-24-27-23(28-29-24)17-9-11-19(12-10-17)30-22-13-14-25-21-8-3-2-7-20(21)22;1-13-4-3-5-15(12-13)24-21-25-18(28-29-21)14-6-8-16(9-7-14)31-20-17-10-11-23-19(17)26-22(27-20)30-2;1-14-3-2-4-16(13-14)25-22-26-20(27-28-22)15-5-7-17(8-6-15)29-19-10-12-24-21-18(19)9-11-23-21;1-14-4-3-5-16(12-14)23-21-24-20(25-26-21)15-6-8-17(9-7-15)28-18-10-11-22-19(13-18)27-2;1-14-4-3-5-17(12-14)23-21-24-20(25-26-21)16-6-8-18(9-7-16)27-19-10-11-22-15(2)13-19;1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-6-18(17(21)12-14)27-16-7-9-22-10-8-16;1-13-3-2-4-15(11-13)23-20-25-24-19(27-20)14-5-7-16(8-6-14)26-17-9-10-22-18(21)12-17/h3-14H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,25,27)(H2,26,28,29,30);2-15H,1H3,(H2,26,27,28,29);3-12H,1-2H3,(H,23,26,27)(H2,24,25,28,29);2-13H,1H3,(H,23,24)(H2,25,26,27,28);3-13H,1-2H3,(H2,23,24,25,26);3-13H,1-2H3,(H2,23,24,25,26);2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H,23,25)
InChIKeyMIMBNDIBWVKOFU-UHFFFAOYSA-N
XLogP46.03
TPSA815.92 Ų
H-Bond Donors21
H-Bond Acceptors53
Rotatable Bonds48
Heavy Atoms262
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003490.30
LogP ≤ 546.03
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1053

Analyze 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine (CID 159576552) is 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine is COc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)ccn1.COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ncnc2c1.COc1nc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)c2cc[nH]c2n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(C)c4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5[nH]ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccncc4)c(Cl)c3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(N)c4)cc3)o2)c1.
What is the InChIKey of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is MIMBNDIBWVKOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2.C24H20N6O.C24H19N5O.C22H19N7O2.C22H18N6O.C21H19N5O2.C21H19N5O.C20H16ClN5O.C20H17N5O2/c1-15-4-3-5-17(12-15)27-24-28-22(29-30-24)16-6-8-18(9-7-16)32-23-20-11-10-19(31-2)13-21(20)25-14-26-23;1-15-5-4-6-17(13-15)26-24-28-23(29-30-24)16-9-11-18(12-10-16)31-21-14-22(25)27-20-8-3-2-7-19(20)21;1-16-5-4-6-18(15-16)26-24-27-23(28-29-24)17-9-11-19(12-10-17)30-22-13-14-25-21-8-3-2-7-20(21)22;1-13-4-3-5-15(12-13)24-21-25-18(28-29-21)14-6-8-16(9-7-14)31-20-17-10-11-23-19(17)26-22(27-20)30-2;1-14-3-2-4-16(13-14)25-22-26-20(27-28-22)15-5-7-17(8-6-15)29-19-10-12-24-21-18(19)9-11-23-21;1-14-4-3-5-16(12-14)23-21-24-20(25-26-21)15-6-8-17(9-7-15)28-18-10-11-22-19(13-18)27-2;1-14-4-3-5-17(12-14)23-21-24-20(25-26-21)16-6-8-18(9-7-16)27-19-10-11-22-15(2)13-19;1-13-3-2-4-15(11-13)23-20-24-19(25-26-20)14-5-6-18(17(21)12-14)27-16-7-9-22-10-8-16;1-13-3-2-4-15(11-13)23-20-25-24-19(27-20)14-5-7-16(8-6-14)26-17-9-10-22-18(21)12-17/h3-14H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,25,27)(H2,26,28,29,30);2-15H,1H3,(H2,26,27,28,29);3-12H,1-2H3,(H,23,26,27)(H2,24,25,28,29);2-13H,1H3,(H,23,24)(H2,25,26,27,28);3-13H,1-2H3,(H2,23,24,25,26);3-13H,1-2H3,(H2,23,24,25,26);2-12H,1H3,(H2,23,24,25,26);2-12H,1H3,(H2,21,22)(H,23,25).
What are the key properties of 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine?
5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 3490.30 g/mol, XLogP of 46.03, 48 rotatable bonds, 21 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-amino-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-(3-chloro-4-pyridin-4-yloxyphenyl)-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-4-pyridinyl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-[(2-methoxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinazolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine;N-(3-methylphenyl)-5-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-(4-quinolin-4-yloxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159576552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).