tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide

C160H150ClF4N39O14S9 — CID 158261140

IUPACtert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide
SMILESC=CCC(SC1=NN=C(c2ccccn2)C1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccccn2)n1C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CN(C(=O)C(Cl)Sc1nnc(-c2ccccn2)n1C)c1ccccc1.Cc1ccc(C2=NN=C(SCC(=O)Nc3ccccc3)C2)nc1.O=C(CSC1=NN=C(c2ccc(F)cn2)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ncc(F)cc2F)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ncccc2F)C1)Nc1ccccc1.O=C(Nc1ccccc1)C(O)SC1=NN=C(c2ccccn2)C1
InChIInChI=1S/C26H31N5O5S.C19H18N4OS.C17H16ClN5OS.C17H17N5OS.C17H16N4OS.C16H12F2N4OS.2C16H13FN4OS.C16H14N4O2S/c1-17(21(32)30(18-13-9-8-10-14-18)23(33)35-25(2,3)4)37-22-29-28-20(19-15-11-12-16-27-19)31(22)24(34)36-26(5,6)7;1-2-8-17(19(24)21-14-9-4-3-5-10-14)25-18-13-16(22-23-18)15-11-6-7-12-20-15;1-22(12-8-4-3-5-9-12)16(24)14(18)25-17-21-20-15(23(17)2)13-10-6-7-11-19-13;1-2-22-16(14-10-6-7-11-18-14)20-21-17(22)24-12-15(23)19-13-8-4-3-5-9-13;1-12-7-8-14(18-10-12)15-9-17(21-20-15)23-11-16(22)19-13-5-3-2-4-6-13;17-10-6-12(18)16(19-8-10)13-7-15(22-21-13)24-9-14(23)20-11-4-2-1-3-5-11;17-12-7-4-8-18-16(12)13-9-15(21-20-13)23-10-14(22)19-11-5-2-1-3-6-11;17-11-6-7-13(18-9-11)14-8-16(21-20-14)23-10-15(22)19-12-4-2-1-3-5-12;21-15(18-11-6-2-1-3-7-11)16(22)23-14-10-13(19-20-14)12-8-4-5-9-17-12/h8-17H,1-7H3;2-7,9-12,17H,1,8,13H2,(H,21,24);3-11,14H,1-2H3;3-11H,2,12H2,1H3,(H,19,23);2-8,10H,9,11H2,1H3,(H,19,22);1-6,8H,7,9H2,(H,20,23);1-8H,9-10H2,(H,19,22);1-7,9H,8,10H2,(H,19,22);1-9,16,22H,10H2,(H,18,21)
InChIKeyGHWRJUXXCZWPKT-UHFFFAOYSA-N
MW3243.27 g/mol
LogP30.75
Rot. Bonds42

About tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide

tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide (PubChem CID 158261140) has the molecular formula C160H150ClF4N39O14S9 and a molecular weight of 3243.27 g/mol. Its IUPAC name is tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide.

Molecular Properties

Compound Nametert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide
PubChem CID158261140
Molecular FormulaC160H150ClF4N39O14S9
Molecular Weight3243.27 g/mol
Exact Mass3239.93
IUPAC Nametert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide
SMILESC=CCC(SC1=NN=C(c2ccccn2)C1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccccn2)n1C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CN(C(=O)C(Cl)Sc1nnc(-c2ccccn2)n1C)c1ccccc1.Cc1ccc(C2=NN=C(SCC(=O)Nc3ccccc3)C2)nc1.O=C(CSC1=NN=C(c2ccc(F)cn2)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ncc(F)cc2F)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ncccc2F)C1)Nc1ccccc1.O=C(Nc1ccccc1)C(O)SC1=NN=C(c2ccccn2)C1
InChIInChI=1S/C26H31N5O5S.C19H18N4OS.C17H16ClN5OS.C17H17N5OS.C17H16N4OS.C16H12F2N4OS.2C16H13FN4OS.C16H14N4O2S/c1-17(21(32)30(18-13-9-8-10-14-18)23(33)35-25(2,3)4)37-22-29-28-20(19-15-11-12-16-27-19)31(22)24(34)36-26(5,6)7;1-2-8-17(19(24)21-14-9-4-3-5-10-14)25-18-13-16(22-23-18)15-11-6-7-12-20-15;1-22(12-8-4-3-5-9-12)16(24)14(18)25-17-21-20-15(23(17)2)13-10-6-7-11-19-13;1-2-22-16(14-10-6-7-11-18-14)20-21-17(22)24-12-15(23)19-13-8-4-3-5-9-13;1-12-7-8-14(18-10-12)15-9-17(21-20-15)23-11-16(22)19-13-5-3-2-4-6-13;17-10-6-12(18)16(19-8-10)13-7-15(22-21-13)24-9-14(23)20-11-4-2-1-3-5-11;17-12-7-4-8-18-16(12)13-9-15(21-20-13)23-10-14(22)19-11-5-2-1-3-6-11;17-11-6-7-13(18-9-11)14-8-16(21-20-14)23-10-15(22)19-12-4-2-1-3-5-12;21-15(18-11-6-2-1-3-7-11)16(22)23-14-10-13(19-20-14)12-8-4-5-9-17-12/h8-17H,1-7H3;2-7,9-12,17H,1,8,13H2,(H,21,24);3-11,14H,1-2H3;3-11H,2,12H2,1H3,(H,19,23);2-8,10H,9,11H2,1H3,(H,19,22);1-6,8H,7,9H2,(H,20,23);1-8H,9-10H2,(H,19,22);1-7,9H,8,10H2,(H,19,22);1-9,16,22H,10H2,(H,18,21)
InChIKeyGHWRJUXXCZWPKT-UHFFFAOYSA-N
XLogP30.75
TPSA673.61 Ų
H-Bond Donors8
H-Bond Acceptors53
Rotatable Bonds42
Heavy Atoms227
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003243.27
LogP ≤ 530.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
The IUPAC name of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide (CID 158261140) is tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide.
What is the SMILES notation for tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
The canonical SMILES for tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide is C=CCC(SC1=NN=C(c2ccccn2)C1)C(=O)Nc1ccccc1.CC(Sc1nnc(-c2ccccn2)n1C(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1.CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccn1.CN(C(=O)C(Cl)Sc1nnc(-c2ccccn2)n1C)c1ccccc1.Cc1ccc(C2=NN=C(SCC(=O)Nc3ccccc3)C2)nc1.O=C(CSC1=NN=C(c2ccc(F)cn2)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ncc(F)cc2F)C1)Nc1ccccc1.O=C(CSC1=NN=C(c2ncccc2F)C1)Nc1ccccc1.O=C(Nc1ccccc1)C(O)SC1=NN=C(c2ccccn2)C1.
What is the InChIKey of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
The InChIKey is GHWRJUXXCZWPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O5S.C19H18N4OS.C17H16ClN5OS.C17H17N5OS.C17H16N4OS.C16H12F2N4OS.2C16H13FN4OS.C16H14N4O2S/c1-17(21(32)30(18-13-9-8-10-14-18)23(33)35-25(2,3)4)37-22-29-28-20(19-15-11-12-16-27-19)31(22)24(34)36-26(5,6)7;1-2-8-17(19(24)21-14-9-4-3-5-10-14)25-18-13-16(22-23-18)15-11-6-7-12-20-15;1-22(12-8-4-3-5-9-12)16(24)14(18)25-17-21-20-15(23(17)2)13-10-6-7-11-19-13;1-2-22-16(14-10-6-7-11-18-14)20-21-17(22)24-12-15(23)19-13-8-4-3-5-9-13;1-12-7-8-14(18-10-12)15-9-17(21-20-15)23-11-16(22)19-13-5-3-2-4-6-13;17-10-6-12(18)16(19-8-10)13-7-15(22-21-13)24-9-14(23)20-11-4-2-1-3-5-11;17-12-7-4-8-18-16(12)13-9-15(21-20-13)23-10-14(22)19-11-5-2-1-3-6-11;17-11-6-7-13(18-9-11)14-8-16(21-20-14)23-10-15(22)19-12-4-2-1-3-5-12;21-15(18-11-6-2-1-3-7-11)16(22)23-14-10-13(19-20-14)12-8-4-5-9-17-12/h8-17H,1-7H3;2-7,9-12,17H,1,8,13H2,(H,21,24);3-11,14H,1-2H3;3-11H,2,12H2,1H3,(H,19,23);2-8,10H,9,11H2,1H3,(H,19,22);1-6,8H,7,9H2,(H,20,23);1-8H,9-10H2,(H,19,22);1-7,9H,8,10H2,(H,19,22);1-9,16,22H,10H2,(H,18,21).
What are the key properties of tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide?
tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide has a molecular weight of 3243.27 g/mol, XLogP of 30.75, 42 rotatable bonds, 8 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-1-oxopropan-2-yl]sulfanyl-5-pyridin-2-yl-1,2,4-triazole-4-carboxylate;2-chloro-N-methyl-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3,5-difluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide;2-[[5-(3-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-[[5-(5-fluoro-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;2-hydroxy-N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]acetamide;2-[[5-(5-methyl-2-pyridinyl)-4H-pyrazol-3-yl]sulfanyl]-N-phenylacetamide;N-phenyl-2-[(5-pyridin-2-yl-4H-pyrazol-3-yl)sulfanyl]pent-4-enamide is sourced from PubChem (CID 158261140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).