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

C141H128ClN25O10S2 — CID 160649464

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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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.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-c2ccccc2)cc1.S.S.c1ccc(-n2nc(-c3ccncc3)cc2-c2cccnc2)cc1
InChIInChI=1S/C33H31N5O3.C31H35N5O3.2C21H16N4O.C19H14N4.C16H12ClN3O2.2H2S/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;2*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;1-2-6-17(7-3-1)23-19(16-5-4-10-21-14-16)13-18(22-23)15-8-11-20-12-9-15;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;;/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);2*1-14H,(H2,22,26);1-14H;2-10H,1H3;2*1H2/t;23-;;;;;;/m.1....../s1
InChIKeyRKFMVYUNZDIQRE-LAQJVUHCSA-N
MW2432.33 g/mol
LogP24.39
Rot. Bonds34

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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane (PubChem CID 160649464) has the molecular formula C141H128ClN25O10S2 and a molecular weight of 2432.33 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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane
PubChem CID160649464
Molecular FormulaC141H128ClN25O10S2
Molecular Weight2432.33 g/mol
Exact Mass2429.94
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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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.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-c2ccccc2)cc1.S.S.c1ccc(-n2nc(-c3ccncc3)cc2-c2cccnc2)cc1
InChIInChI=1S/C33H31N5O3.C31H35N5O3.2C21H16N4O.C19H14N4.C16H12ClN3O2.2H2S/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;2*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;1-2-6-17(7-3-1)23-19(16-5-4-10-21-14-16)13-18(22-23)15-8-11-20-12-9-15;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;;/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);2*1-14H,(H2,22,26);1-14H;2-10H,1H3;2*1H2/t;23-;;;;;;/m.1....../s1
InChIKeyRKFMVYUNZDIQRE-LAQJVUHCSA-N
XLogP24.39
TPSA494.47 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms179
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002432.33
LogP ≤ 524.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane with MolForge

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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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane (CID 160649464) 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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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.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-c2ccccc2)cc1.S.S.c1ccc(-n2nc(-c3ccncc3)cc2-c2cccnc2)cc1.
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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane?
The InChIKey is RKFMVYUNZDIQRE-LAQJVUHCSA-N. The full InChI is InChI=1S/C33H31N5O3.C31H35N5O3.2C21H16N4O.C19H14N4.C16H12ClN3O2.2H2S/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;2*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;1-2-6-17(7-3-1)23-19(16-5-4-10-21-14-16)13-18(22-23)15-8-11-20-12-9-15;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;;/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);2*1-14H,(H2,22,26);1-14H;2-10H,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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane has a molecular weight of 2432.33 g/mol, XLogP of 24.39, 34 rotatable bonds, 8 hydrogen bond donors, and 30 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;bis(4-(1-phenyl-3-pyridin-3-ylpyrazol-5-yl)benzamide);3-(1-phenyl-3-pyridin-4-ylpyrazol-5-yl)pyridine;sulfane is sourced from PubChem (CID 160649464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).