N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide

C130H159N23O11 — CID 158357850

About N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide

N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide (PubChem CID 158357850) has the molecular formula C130H159N23O11 and a molecular weight of 2219.85 g/mol. Its IUPAC name is N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide.

Molecular Properties

• Compound Name: N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide
• PubChem CID: 158357850
• Molecular Formula: C130H159N23O11
• Molecular Weight: 2219.85 g/mol
• Exact Mass: 2218.26
• IUPAC Name: N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide
• SMILES: CC(=O)Nc1ccc(CC(NC(=O)CCCCCc2cc(-c3ccccn3)nn2-c2ccc(C(C)(C)C)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCCC(=O)NC(Cc2ccc(C(N)=O)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCCC(=O)NC(Cc2ccc(N)cc2)C(N)=O)cc1.CC(O)C(NC(=O)CCCCCc1cc(-c2ccccn2)nn1-c1ccc(C(C)(C)C)cc1)C(N)=O
• InChI: InChI=1S/C35H42N6O3.C34H40N6O3.C33H40N6O2.C28H37N5O3/c1-24(42)38-27-17-13-25(14-18-27)22-32(34(36)44)39-33(43)12-7-5-6-10-29-23-31(30-11-8-9-21-37-30)40-41(29)28-19-15-26(16-20-28)35(2,3)4;1-34(2,3)25-16-18-26(19-17-25)40-27(22-29(39-40)28-10-7-8-20-37-28)9-5-4-6-11-31(41)38-30(33(36)43)21-23-12-14-24(15-13-23)32(35)42;1-33(2,3)24-14-18-26(19-15-24)39-27(22-29(38-39)28-10-7-8-20-36-28)9-5-4-6-11-31(40)37-30(32(35)41)21-23-12-16-25(34)17-13-23;1-19(34)26(27(29)36)31-25(35)12-7-5-6-10-22-18-24(23-11-8-9-17-30-23)32-33(22)21-15-13-20(14-16-21)28(2,3)4/h8-9,11,13-21,23,32H,5-7,10,12,22H2,1-4H3,(H2,36,44)(H,38,42)(H,39,43);7-8,10,12-20,22,30H,4-6,9,11,21H2,1-3H3,(H2,35,42)(H2,36,43)(H,38,41);7-8,10,12-20,22,30H,4-6,9,11,21,34H2,1-3H3,(H2,35,41)(H,37,40);8-9,11,13-19,26,34H,5-7,10,12H2,1-4H3,(H2,29,36)(H,31,35)
• InChIKey: GTCHCIJZAGLDPR-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 530.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 49
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2219.85
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide?

The IUPAC name of N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide (CID 158357850) is N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide.

What is the SMILES notation for N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide?

The canonical SMILES for N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide is CC(=O)Nc1ccc(CC(NC(=O)CCCCCc2cc(-c3ccccn3)nn2-c2ccc(C(C)(C)C)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCCC(=O)NC(Cc2ccc(C(N)=O)cc2)C(N)=O)cc1.CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2CCCCCC(=O)NC(Cc2ccc(N)cc2)C(N)=O)cc1.CC(O)C(NC(=O)CCCCCc1cc(-c2ccccn2)nn1-c1ccc(C(C)(C)C)cc1)C(N)=O.

What is the InChIKey of N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide?

The InChIKey is GTCHCIJZAGLDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O3.C34H40N6O3.C33H40N6O2.C28H37N5O3/c1-24(42)38-27-17-13-25(14-18-27)22-32(34(36)44)39-33(43)12-7-5-6-10-29-23-31(30-11-8-9-21-37-30)40-41(29)28-19-15-26(16-20-28)35(2,3)4;1-34(2,3)25-16-18-26(19-17-25)40-27(22-29(39-40)28-10-7-8-20-37-28)9-5-4-6-11-31(41)38-30(33(36)43)21-23-12-14-24(15-13-23)32(35)42;1-33(2,3)24-14-18-26(19-15-24)39-27(22-29(38-39)28-10-7-8-20-36-28)9-5-4-6-11-31(40)37-30(32(35)41)21-23-12-16-25(34)17-13-23;1-19(34)26(27(29)36)31-25(35)12-7-5-6-10-22-18-24(23-11-8-9-17-30-23)32-33(22)21-15-13-20(14-16-21)28(2,3)4/h8-9,11,13-21,23,32H,5-7,10,12,22H2,1-4H3,(H2,36,44)(H,38,42)(H,39,43);7-8,10,12-20,22,30H,4-6,9,11,21H2,1-3H3,(H2,35,42)(H2,36,43)(H,38,41);7-8,10,12-20,22,30H,4-6,9,11,21,34H2,1-3H3,(H2,35,41)(H,37,40);8-9,11,13-19,26,34H,5-7,10,12H2,1-4H3,(H2,29,36)(H,31,35).

What are the key properties of N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide?

N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide has a molecular weight of 2219.85 g/mol, XLogP of 18.97, 49 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-acetamidophenyl)-1-amino-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;N-[1-amino-3-(4-aminophenyl)-1-oxopropan-2-yl]-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide;4-[3-amino-2-[6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanoylamino]-3-oxopropyl]benzamide;N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-6-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]hexanamide is sourced from PubChem (CID 158357850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).