N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane

C137H126ClN25O13S2 — CID 161178448

IUPACN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane
SMILESCC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)C[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1cccc(Cl)c1.COC(=O)n1nc(-c2cccnc2)cc1-c1cccc(O)c1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccc2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccn2)cc1.S.S
InChIInChI=1S/C33H31N5O3.C31H35N5O3.C21H16N4O.C20H15N5O.C16H12ClN3O2.C16H13N3O3.2H2S/c1-22-5-10-27(11-6-22)38-28(21-30(37-38)25-15-17-35-18-16-25)12-7-23-3-2-4-26(19-23)33(41)36-31(32(34)40)20-24-8-13-29(39)14-9-24;1-31(2,3)24-8-10-25(11-9-24)36-26(17-29(35-36)22-5-4-14-33-18-22)19-34-20-28(38)16-23(30(32)39)15-21-6-12-27(37)13-7-21;22-21(26)16-10-8-15(9-11-16)20-13-19(17-5-4-12-23-14-17)24-25(20)18-6-2-1-3-7-18;21-20(26)15-8-6-14(7-9-15)18-12-17(16-4-3-10-22-13-16)24-25(18)19-5-1-2-11-23-19;1-22-16(21)20-15(11-4-2-6-13(17)8-11)9-14(19-20)12-5-3-7-18-10-12;1-22-16(21)19-15(11-4-2-6-13(20)8-11)9-14(18-19)12-5-3-7-17-10-12;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);4-14,17-18,23,34,37H,15-16,19-20H2,1-3H3,(H2,32,39);1-14H,(H2,22,26);1-13H,(H2,21,26);2-10H,1H3;2-10,20H,1H3;2*1H2/t;23-;;;;;;/m.1....../s1
InChIKeyUSCXRKCXLSSGTE-LAQJVUHCSA-N
MW2430.26 g/mol
LogP22.72
Rot. Bonds33

About N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane (PubChem CID 161178448) has the molecular formula C137H126ClN25O13S2 and a molecular weight of 2430.26 g/mol. Its IUPAC name is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane.

Molecular Properties

Compound NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane
PubChem CID161178448
Molecular FormulaC137H126ClN25O13S2
Molecular Weight2430.26 g/mol
Exact Mass2427.91
IUPAC NameN-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane
SMILESCC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)C[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1cccc(Cl)c1.COC(=O)n1nc(-c2cccnc2)cc1-c1cccc(O)c1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccc2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccn2)cc1.S.S
InChIInChI=1S/C33H31N5O3.C31H35N5O3.C21H16N4O.C20H15N5O.C16H12ClN3O2.C16H13N3O3.2H2S/c1-22-5-10-27(11-6-22)38-28(21-30(37-38)25-15-17-35-18-16-25)12-7-23-3-2-4-26(19-23)33(41)36-31(32(34)40)20-24-8-13-29(39)14-9-24;1-31(2,3)24-8-10-25(11-9-24)36-26(17-29(35-36)22-5-4-14-33-18-22)19-34-20-28(38)16-23(30(32)39)15-21-6-12-27(37)13-7-21;22-21(26)16-10-8-15(9-11-16)20-13-19(17-5-4-12-23-14-17)24-25(20)18-6-2-1-3-7-18;21-20(26)15-8-6-14(7-9-15)18-12-17(16-4-3-10-22-13-16)24-25(18)19-5-1-2-11-23-19;1-22-16(21)20-15(11-4-2-6-13(17)8-11)9-14(19-20)12-5-3-7-18-10-12;1-22-16(21)19-15(11-4-2-6-13(20)8-11)9-14(18-19)12-5-3-7-17-10-12;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);4-14,17-18,23,34,37H,15-16,19-20H2,1-3H3,(H2,32,39);1-14H,(H2,22,26);1-13H,(H2,21,26);2-10H,1H3;2-10,20H,1H3;2*1H2/t;23-;;;;;;/m.1....../s1
InChIKeyUSCXRKCXLSSGTE-LAQJVUHCSA-N
XLogP22.72
TPSA541.00 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds33
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002430.26
LogP ≤ 522.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane with MolForge

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Related Compounds

N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide
CID 159056972
N-(1-adamantylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;2-chloro-6-methyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;N-(3-ethoxypropyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3-ethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[3-(4-hydroxyphenyl)propyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;3-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-(oxan-4-ylmethyl)-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 159972324
2-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-N-[2-(4-hydroxyphenyl)ethyl]acetamide;1-[1-(3,4-dichlorophenyl)-3-pyridin-3-ylpyrazol-5-yl]pyrrolidin-2-one;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;2,2,2-trifluoro-N-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]acetamide
CID 160306985
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[4-(methylamino)cyclohexyl]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-5-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 157599730
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide;methane;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-5-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 159019948
N-(2-anilinoethyl)-4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-methyl-4-pyridinyl)-5-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 159474545
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;4-[4-(4-chlorophenyl)-5-(4-methylsulfonylphenyl)-1H-pyrrol-2-yl]pyridine;(2R)-2-[(4-hydroxyphenyl)methyl]-4-oxo-5-[(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)methylamino]pentanamide;4-(1-pyridin-2-yl-4-pyridin-3-ylpyrrol-2-yl)benzamide;sulfane
CID 159561511
4-[[5-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide;N-(2-ethyl-4-pyridinyl)-5-(3-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;methane;4-[[5-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;2-methyl-5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;N-(2-methyl-4-pyridinyl)-5-(4-propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 160022527
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane
CID 160649464

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane?
The IUPAC name of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane (CID 161178448) is N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane.
What is the SMILES notation for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane?
The canonical SMILES for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane is CC(C)(C)c1ccc(-n2nc(-c3cccnc3)cc2CNCC(=O)C[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1.COC(=O)n1nc(-c2cccnc2)cc1-c1cccc(Cl)c1.COC(=O)n1nc(-c2cccnc2)cc1-c1cccc(O)c1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccc2)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)nn2-c2ccccn2)cc1.S.S.
What is the InChIKey of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane?
The InChIKey is USCXRKCXLSSGTE-LAQJVUHCSA-N. The full InChI is InChI=1S/C33H31N5O3.C31H35N5O3.C21H16N4O.C20H15N5O.C16H12ClN3O2.C16H13N3O3.2H2S/c1-22-5-10-27(11-6-22)38-28(21-30(37-38)25-15-17-35-18-16-25)12-7-23-3-2-4-26(19-23)33(41)36-31(32(34)40)20-24-8-13-29(39)14-9-24;1-31(2,3)24-8-10-25(11-9-24)36-26(17-29(35-36)22-5-4-14-33-18-22)19-34-20-28(38)16-23(30(32)39)15-21-6-12-27(37)13-7-21;22-21(26)16-10-8-15(9-11-16)20-13-19(17-5-4-12-23-14-17)24-25(20)18-6-2-1-3-7-18;21-20(26)15-8-6-14(7-9-15)18-12-17(16-4-3-10-22-13-16)24-25(18)19-5-1-2-11-23-19;1-22-16(21)20-15(11-4-2-6-13(17)8-11)9-14(19-20)12-5-3-7-18-10-12;1-22-16(21)19-15(11-4-2-6-13(20)8-11)9-14(18-19)12-5-3-7-17-10-12;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);4-14,17-18,23,34,37H,15-16,19-20H2,1-3H3,(H2,32,39);1-14H,(H2,22,26);1-13H,(H2,21,26);2-10H,1H3;2-10,20H,1H3;2*1H2/t;23-;;;;;;/m.1....../s1.
What are the key properties of N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane?
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane has a molecular weight of 2430.26 g/mol, XLogP of 22.72, 33 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-[2-[1-(4-methylphenyl)-3-pyridin-4-ylpyrazol-5-yl]ethyl]benzamide;(2R)-5-[[1-(4-tert-butylphenyl)-3-pyridin-3-ylpyrazol-5-yl]methylamino]-2-[(4-hydroxyphenyl)methyl]-4-oxopentanamide;methyl 5-(3-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(3-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide;sulfane is sourced from PubChem (CID 161178448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).