4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

C138H132ClF2N33O10 — CID 157430451

IUPAC4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCNC(=O)c1ccc(Nc2nc3c(-c4cccc(OCF)c4)cccn3n2)cc1.COc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(OCF)c4)cccn3n2)cc1
InChIInChI=1S/C26H28FN7O2.C26H28N6O2.C25H24ClN5O.C21H18FN5O2.C20H17N5O2.C20H17N5O/c27-18-36-22-4-1-3-20(17-22)23-5-2-13-34-24(23)31-26(32-34)30-21-8-6-19(7-9-21)25(35)29-12-16-33-14-10-28-11-15-33;1-19-4-6-20(7-5-19)23-3-2-13-32-24(23)29-26(30-32)28-22-10-8-21(9-11-22)25(33)27-12-14-31-15-17-34-18-16-31;26-19-12-8-17(9-13-19)22-7-4-16-31-23(22)29-25(30-31)28-21-14-10-18(11-15-21)24(32)27-20-5-2-1-3-6-20;1-23-20(28)14-7-9-16(10-8-14)24-21-25-19-18(6-3-11-27(19)26-21)15-4-2-5-17(12-15)29-13-22;1-27-16-5-2-4-14(12-16)17-6-3-11-25-19(17)23-20(24-25)22-15-9-7-13(8-10-15)18(21)26;1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h1-9,13,17,28H,10-12,14-16,18H2,(H,29,35)(H,30,32);2-11,13H,12,14-18H2,1H3,(H,27,33)(H,28,30);4,7-16,20H,1-3,5-6H2,(H,27,32)(H,28,30);2-12H,13H2,1H3,(H,23,28)(H,24,26);2-12H,1H3,(H2,21,26)(H,22,24);2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyBQLUDCWZEHYHJA-UHFFFAOYSA-N
MW2486.24 g/mol
LogP23.05
Rot. Bonds36

About 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide

4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 157430451) has the molecular formula C138H132ClF2N33O10 and a molecular weight of 2486.24 g/mol. Its IUPAC name is 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID157430451
Molecular FormulaC138H132ClF2N33O10
Molecular Weight2486.24 g/mol
Exact Mass2484.05
IUPAC Name4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCNC(=O)c1ccc(Nc2nc3c(-c4cccc(OCF)c4)cccn3n2)cc1.COc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(OCF)c4)cccn3n2)cc1
InChIInChI=1S/C26H28FN7O2.C26H28N6O2.C25H24ClN5O.C21H18FN5O2.C20H17N5O2.C20H17N5O/c27-18-36-22-4-1-3-20(17-22)23-5-2-13-34-24(23)31-26(32-34)30-21-8-6-19(7-9-21)25(35)29-12-16-33-14-10-28-11-15-33;1-19-4-6-20(7-5-19)23-3-2-13-32-24(23)29-26(30-32)28-22-10-8-21(9-11-22)25(33)27-12-14-31-15-17-34-18-16-31;26-19-12-8-17(9-13-19)22-7-4-16-31-23(22)29-25(30-31)28-21-14-10-18(11-15-21)24(32)27-20-5-2-1-3-6-20;1-23-20(28)14-7-9-16(10-8-14)24-21-25-19-18(6-3-11-27(19)26-21)15-4-2-5-17(12-15)29-13-22;1-27-16-5-2-4-14(12-16)17-6-3-11-25-19(17)23-20(24-25)22-15-9-7-13(8-10-15)18(21)26;1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h1-9,13,17,28H,10-12,14-16,18H2,(H,29,35)(H,30,32);2-11,13H,12,14-18H2,1H3,(H,27,33)(H,28,30);4,7-16,20H,1-3,5-6H2,(H,27,32)(H,28,30);2-12H,13H2,1H3,(H,23,28)(H,24,26);2-12H,1H3,(H2,21,26)(H,22,24);2-12H,1H3,(H2,21,26)(H,22,24)
InChIKeyBQLUDCWZEHYHJA-UHFFFAOYSA-N
XLogP23.05
TPSA511.33 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds36
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002486.24
LogP ≤ 523.05
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Analyze 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 157430451) is 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is CNC(=O)c1ccc(Nc2nc3c(-c4cccc(OCF)c4)cccn3n2)cc1.COc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.Cc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NCCN5CCOCC5)cc4)nc23)cc1.Cc1cccc(-c2cccn3nc(Nc4ccc(C(N)=O)cc4)nc23)c1.O=C(NC1CCCCC1)c1ccc(Nc2nc3c(-c4ccc(Cl)cc4)cccn3n2)cc1.O=C(NCCN1CCNCC1)c1ccc(Nc2nc3c(-c4cccc(OCF)c4)cccn3n2)cc1.
What is the InChIKey of 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is BQLUDCWZEHYHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2.C26H28N6O2.C25H24ClN5O.C21H18FN5O2.C20H17N5O2.C20H17N5O/c27-18-36-22-4-1-3-20(17-22)23-5-2-13-34-24(23)31-26(32-34)30-21-8-6-19(7-9-21)25(35)29-12-16-33-14-10-28-11-15-33;1-19-4-6-20(7-5-19)23-3-2-13-32-24(23)29-26(30-32)28-22-10-8-21(9-11-22)25(33)27-12-14-31-15-17-34-18-16-31;26-19-12-8-17(9-13-19)22-7-4-16-31-23(22)29-25(30-31)28-21-14-10-18(11-15-21)24(32)27-20-5-2-1-3-6-20;1-23-20(28)14-7-9-16(10-8-14)24-21-25-19-18(6-3-11-27(19)26-21)15-4-2-5-17(12-15)29-13-22;1-27-16-5-2-4-14(12-16)17-6-3-11-25-19(17)23-20(24-25)22-15-9-7-13(8-10-15)18(21)26;1-13-4-2-5-15(12-13)17-6-3-11-25-19(17)23-20(24-25)22-16-9-7-14(8-10-16)18(21)26/h1-9,13,17,28H,10-12,14-16,18H2,(H,29,35)(H,30,32);2-11,13H,12,14-18H2,1H3,(H,27,33)(H,28,30);4,7-16,20H,1-3,5-6H2,(H,27,32)(H,28,30);2-12H,13H2,1H3,(H,23,28)(H,24,26);2-12H,1H3,(H2,21,26)(H,22,24);2-12H,1H3,(H2,21,26)(H,22,24).
What are the key properties of 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 2486.24 g/mol, XLogP of 23.05, 36 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-piperazin-1-ylethyl)benzamide;4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 157430451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).