4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide

C51H74N10O4S — CID 177318159

About 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide

4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide (PubChem CID 177318159) has the molecular formula C51H74N10O4S and a molecular weight of 923.29 g/mol. Its IUPAC name is 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide.

Molecular Properties

• Compound Name: 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
• PubChem CID: 177318159
• Molecular Formula: C51H74N10O4S
• Molecular Weight: 923.29 g/mol
• Exact Mass: 922.56
• IUPAC Name: 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide
• SMILES: CCCNNC(=O)c1ccc(C2CCN(CC3CN(CC4CCC(c5cn(C(C(=O)N6CCC(O)C6)C(C)(C)C)nn5)CC4)C3)CC2)cc1.Cc1ncsc1-c1ccc(C(C)NC=O)cc1
• InChI: InChI=1S/C38H60N8O3.C13H14N2OS/c1-5-17-39-41-36(48)32-12-10-29(11-13-32)30-14-18-43(19-15-30)22-28-23-44(24-28)21-27-6-8-31(9-7-27)34-26-46(42-40-34)35(38(2,3)4)37(49)45-20-16-33(47)25-45;1-9(14-7-16)11-3-5-12(6-4-11)13-10(2)15-8-17-13/h10-13,26-28,30-31,33,35,39,47H,5-9,14-25H2,1-4H3,(H,41,48);3-9H,1-2H3,(H,14,16)
• InChIKey: NQEXTVPMGGMPSR-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 160.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.29
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?

The IUPAC name of 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide (CID 177318159) is 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide.

What is the SMILES notation for 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?

The canonical SMILES for 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide is CCCNNC(=O)c1ccc(C2CCN(CC3CN(CC4CCC(c5cn(C(C(=O)N6CCC(O)C6)C(C)(C)C)nn5)CC4)C3)CC2)cc1.Cc1ncsc1-c1ccc(C(C)NC=O)cc1.

What is the InChIKey of 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?

The InChIKey is NQEXTVPMGGMPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H60N8O3.C13H14N2OS/c1-5-17-39-41-36(48)32-12-10-29(11-13-32)30-14-18-43(19-15-30)22-28-23-44(24-28)21-27-6-8-31(9-7-27)34-26-46(42-40-34)35(38(2,3)4)37(49)45-20-16-33(47)25-45;1-9(14-7-16)11-3-5-12(6-4-11)13-10(2)15-8-17-13/h10-13,26-28,30-31,33,35,39,47H,5-9,14-25H2,1-4H3,(H,41,48);3-9H,1-2H3,(H,14,16).

What are the key properties of 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide?

4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide has a molecular weight of 923.29 g/mol, XLogP of 7.11, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[[1-[[4-[1-[1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]triazol-4-yl]cyclohexyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-N'-propylbenzohydrazide;N-[1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]formamide is sourced from PubChem (CID 177318159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).