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

C103H95ClN16O9S3 — CID 159561511

IUPACN-[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
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.NC(=O)[C@@H](CC(=O)CNCc1cc(-c2cccnc2)nn1-c1ccccc1)Cc1ccc(O)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)cn2-c2ccccn2)cc1.S.S
InChIInChI=1S/C33H31N5O3.C27H27N5O3.C22H17ClN2O2S.C21H16N4O.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;28-27(35)21(13-19-8-10-24(33)11-9-19)14-25(34)18-30-17-23-15-26(20-5-4-12-29-16-20)31-32(23)22-6-2-1-3-7-22;1-28(26,27)19-8-4-17(5-9-19)22-20(15-2-6-18(23)7-3-15)14-21(25-22)16-10-12-24-13-11-16;22-21(26)16-8-6-15(7-9-16)19-12-18(17-4-3-10-23-13-17)14-25(19)20-5-1-2-11-24-20;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);1-12,15-16,21,30,33H,13-14,17-18H2,(H2,28,35);2-14,25H,1H3;1-14H,(H2,22,26);2*1H2/t;21-;;;;/m.1..../s1
InChIKeyMGRIKAPNRVGRSX-DRUIFJEQSA-N
MW1832.65 g/mol
LogP16.99
Rot. Bonds29

About 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

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 (PubChem CID 159561511) has the molecular formula C103H95ClN16O9S3 and a molecular weight of 1832.65 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;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.

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;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
PubChem CID159561511
Molecular FormulaC103H95ClN16O9S3
Molecular Weight1832.65 g/mol
Exact Mass1830.63
IUPAC NameN-[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
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.NC(=O)[C@@H](CC(=O)CNCc1cc(-c2cccnc2)nn1-c1ccccc1)Cc1ccc(O)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)cn2-c2ccccn2)cc1.S.S
InChIInChI=1S/C33H31N5O3.C27H27N5O3.C22H17ClN2O2S.C21H16N4O.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;28-27(35)21(13-19-8-10-24(33)11-9-19)14-25(34)18-30-17-23-15-26(20-5-4-12-29-16-20)31-32(23)22-6-2-1-3-7-22;1-28(26,27)19-8-4-17(5-9-19)22-20(15-2-6-18(23)7-3-15)14-21(25-22)16-10-12-24-13-11-16;22-21(26)16-8-6-15(7-9-16)19-12-18(17-4-3-10-23-13-17)14-25(19)20-5-1-2-11-24-20;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);1-12,15-16,21,30,33H,13-14,17-18H2,(H2,28,35);2-14,25H,1H3;1-14H,(H2,22,26);2*1H2/t;21-;;;;/m.1..../s1
InChIKeyMGRIKAPNRVGRSX-DRUIFJEQSA-N
XLogP16.99
TPSA382.88 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001832.65
LogP ≤ 516.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 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 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;(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
4-[5-(4-Chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]pyridine;4-[5-(4-chlorophenyl)-3-pyridin-4-ylpyrazol-1-yl]benzenesulfonamide;methyl 5-(4-chlorophenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;methyl 5-(4-hydroxyphenyl)-3-pyridin-3-ylpyrazole-1-carboxylate;4-(1-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-yl)benzamide
CID 162170214

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;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?
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;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) is 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.
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;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?
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;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 is CS(=O)(=O)c1ccc(-c2[nH]c(-c3ccncc3)cc2-c2ccc(Cl)cc2)cc1.Cc1ccc(-n2nc(-c3ccncc3)cc2CCc2cccc(C(=O)NC(Cc3ccc(O)cc3)C(N)=O)c2)cc1.NC(=O)[C@@H](CC(=O)CNCc1cc(-c2cccnc2)nn1-c1ccccc1)Cc1ccc(O)cc1.NC(=O)c1ccc(-c2cc(-c3cccnc3)cn2-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;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?
The InChIKey is MGRIKAPNRVGRSX-DRUIFJEQSA-N. The full InChI is InChI=1S/C33H31N5O3.C27H27N5O3.C22H17ClN2O2S.C21H16N4O.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;28-27(35)21(13-19-8-10-24(33)11-9-19)14-25(34)18-30-17-23-15-26(20-5-4-12-29-16-20)31-32(23)22-6-2-1-3-7-22;1-28(26,27)19-8-4-17(5-9-19)22-20(15-2-6-18(23)7-3-15)14-21(25-22)16-10-12-24-13-11-16;22-21(26)16-8-6-15(7-9-16)19-12-18(17-4-3-10-23-13-17)14-25(19)20-5-1-2-11-24-20;;/h2-6,8-11,13-19,21,31,39H,7,12,20H2,1H3,(H2,34,40)(H,36,41);1-12,15-16,21,30,33H,13-14,17-18H2,(H2,28,35);2-14,25H,1H3;1-14H,(H2,22,26);2*1H2/t;21-;;;;/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;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?
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 has a molecular weight of 1832.65 g/mol, XLogP of 16.99, 29 rotatable bonds, 8 hydrogen bond donors, and 20 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;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 is sourced from PubChem (CID 159561511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).