2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate

C154H179N25O10S — CID 162161095

IUPAC2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate
SMILESCC(=O)NC(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.CC(C)(C)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.COC(=O)NC(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)NS(C)(=O)=O)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(COC(=O)NC(C)(C)c2cccn3c(C4(c5ccc(C)cc5)CCC4)nnc23)cc1
InChIInChI=1S/C29H32N4O2.C22H26N4O2.C22H26N4O.C22H27N3O.C21H26N4O2S.2C19H21N3O/c1-20-8-12-22(13-9-20)19-35-27(34)30-28(3,4)24-7-5-18-33-25(24)31-32-26(33)29(16-6-17-29)23-14-10-21(2)11-15-23;1-15-8-10-16(11-9-15)22(12-6-13-22)19-25-24-18-17(7-5-14-26(18)19)21(2,3)23-20(27)28-4;1-15-8-10-17(11-9-15)22(12-6-13-22)20-25-24-19-18(7-5-14-26(19)20)21(3,4)23-16(2)27;1-20(2,3)15-8-10-16(11-9-15)22(12-13-22)19-24-23-18-17(21(4,5)26)7-6-14-25(18)19;1-15-8-10-16(11-9-15)21(12-6-13-21)19-23-22-18-17(7-5-14-25(18)19)20(2,3)24-28(4,26)27;2*1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h5,7-15,18H,6,16-17,19H2,1-4H3,(H,30,34);5,7-11,14H,6,12-13H2,1-4H3,(H,23,27);5,7-11,14H,6,12-13H2,1-4H3,(H,23,27);6-11,14,26H,12-13H2,1-5H3;5,7-11,14,24H,6,12-13H2,1-4H3;2*4-9,12,23H,10-11H2,1-3H3
InChIKeyZMMLRSKVBWFRJE-UHFFFAOYSA-N
MW2572.36 g/mol
LogP28.27
Rot. Bonds28

About 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate

2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate (PubChem CID 162161095) has the molecular formula C154H179N25O10S and a molecular weight of 2572.36 g/mol. Its IUPAC name is 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Name2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate
PubChem CID162161095
Molecular FormulaC154H179N25O10S
Molecular Weight2572.36 g/mol
Exact Mass2570.40
IUPAC Name2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate
SMILESCC(=O)NC(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.CC(C)(C)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.COC(=O)NC(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)NS(C)(=O)=O)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(COC(=O)NC(C)(C)c2cccn3c(C4(c5ccc(C)cc5)CCC4)nnc23)cc1
InChIInChI=1S/C29H32N4O2.C22H26N4O2.C22H26N4O.C22H27N3O.C21H26N4O2S.2C19H21N3O/c1-20-8-12-22(13-9-20)19-35-27(34)30-28(3,4)24-7-5-18-33-25(24)31-32-26(33)29(16-6-17-29)23-14-10-21(2)11-15-23;1-15-8-10-16(11-9-15)22(12-6-13-22)19-25-24-18-17(7-5-14-26(18)19)21(2,3)23-20(27)28-4;1-15-8-10-17(11-9-15)22(12-6-13-22)20-25-24-19-18(7-5-14-26(19)20)21(3,4)23-16(2)27;1-20(2,3)15-8-10-16(11-9-15)22(12-13-22)19-24-23-18-17(21(4,5)26)7-6-14-25(18)19;1-15-8-10-16(11-9-15)21(12-6-13-21)19-23-22-18-17(7-5-14-25(18)19)20(2,3)24-28(4,26)27;2*1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h5,7-15,18H,6,16-17,19H2,1-4H3,(H,30,34);5,7-11,14H,6,12-13H2,1-4H3,(H,23,27);5,7-11,14H,6,12-13H2,1-4H3,(H,23,27);6-11,14,26H,12-13H2,1-5H3;5,7-11,14,24H,6,12-13H2,1-4H3;2*4-9,12,23H,10-11H2,1-3H3
InChIKeyZMMLRSKVBWFRJE-UHFFFAOYSA-N
XLogP28.27
TPSA423.95 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds28
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002572.36
LogP ≤ 528.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(2H-tetrazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1,1,1-trifluoro-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 159575467
5-[4-(8-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-bicyclo[2.2.2]octanyl]-3-(4-methylphenyl)-1,2,4-oxadiazole;2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-amine;3-[1-(4-methylphenyl)cyclobutyl]-8-[2-(4H-triazol-5-yl)propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridine;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;2-[3-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-bicyclo[2.2.2]octanyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 158100867
Methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[1-(4-methylphenyl)cyclopropyl]-8-prop-1-en-2-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclobutan-1-ol;[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;3-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-1-ol
CID 158101658
N-(2-cyanoethyl)-2-methyl-2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide;2-[3-[1-[4-(hydroxymethyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;1-[4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]phenyl]ethanone;bis(methyl 2-methyl-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate);methyl 2-methyl-2-[3-[1-[4-(4-methylphenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanoate;3-[5-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]tetrazol-1-yl]propanenitrile
CID 158673104
1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propane-1,2-diol;1,1-dideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propane-1,2-diol;methane;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-13C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](1,3-14C2)propan-2-ol;2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](214C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl](113C)propan-2-ol;1,1,1-trideuterio-2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 159012417
2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;(4-methoxyphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol)
CID 159142249

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate?
The IUPAC name of 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate (CID 162161095) is 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate.
What is the SMILES notation for 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate?
The canonical SMILES for 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate is CC(=O)NC(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.CC(C)(C)c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.COC(=O)NC(C)(C)c1cccn2c(C3(c4ccc(C)cc4)CCC3)nnc12.Cc1ccc(C2(c3nnc4c(C(C)(C)NS(C)(=O)=O)cccn34)CCC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.Cc1ccc(COC(=O)NC(C)(C)c2cccn3c(C4(c5ccc(C)cc5)CCC4)nnc23)cc1.
What is the InChIKey of 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate?
The InChIKey is ZMMLRSKVBWFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2.C22H26N4O2.C22H26N4O.C22H27N3O.C21H26N4O2S.2C19H21N3O/c1-20-8-12-22(13-9-20)19-35-27(34)30-28(3,4)24-7-5-18-33-25(24)31-32-26(33)29(16-6-17-29)23-14-10-21(2)11-15-23;1-15-8-10-16(11-9-15)22(12-6-13-22)19-25-24-18-17(7-5-14-26(18)19)21(2,3)23-20(27)28-4;1-15-8-10-17(11-9-15)22(12-6-13-22)20-25-24-19-18(7-5-14-26(19)20)21(3,4)23-16(2)27;1-20(2,3)15-8-10-16(11-9-15)22(12-13-22)19-24-23-18-17(21(4,5)26)7-6-14-25(18)19;1-15-8-10-16(11-9-15)21(12-6-13-21)19-23-22-18-17(7-5-14-25(18)19)20(2,3)24-28(4,26)27;2*1-13-6-8-14(9-7-13)19(10-11-19)17-21-20-16-15(18(2,3)23)5-4-12-22(16)17/h5,7-15,18H,6,16-17,19H2,1-4H3,(H,30,34);5,7-11,14H,6,12-13H2,1-4H3,(H,23,27);5,7-11,14H,6,12-13H2,1-4H3,(H,23,27);6-11,14,26H,12-13H2,1-5H3;5,7-11,14,24H,6,12-13H2,1-4H3;2*4-9,12,23H,10-11H2,1-3H3.
What are the key properties of 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate?
2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate has a molecular weight of 2572.36 g/mol, XLogP of 28.27, 28 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-tert-butylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol;methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]acetamide;N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]methanesulfonamide;bis(2-[3-[1-(4-methylphenyl)cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol);(4-methylphenyl)methyl N-[2-[3-[1-(4-methylphenyl)cyclobutyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-yl]carbamate is sourced from PubChem (CID 162161095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).