N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

C62H88N16O11 — CID 138738990

About N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 138738990) has the molecular formula C62H88N16O11 and a molecular weight of 1233.49 g/mol. Its IUPAC name is N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 138738990
• Molecular Formula: C62H88N16O11
• Molecular Weight: 1233.49 g/mol
• Exact Mass: 1232.68
• IUPAC Name: N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CC(C)(O)c1cnnn1[C@H]1C[C@@H](C(=O)NC2(C(=O)C(=O)NCC(C)(O)c3cnnn3[C@H]3C[C@@H](C(=O)NC4(C(=O)C(N)=O)CCCCC4)N(C(=O)[C@@H](CC4CCCCC4)NC(=O)c4ccc5nccn5c4)C3)CCCCC2)N(C(=O)[C@H](N)CC2CCCCC2)C1
• InChI: InChI=1S/C62H88N16O11/c1-59(2,88)47-32-67-72-77(47)41-30-45(75(35-41)57(86)43(63)28-38-16-8-4-9-17-38)54(83)71-62(24-14-7-15-25-62)51(80)56(85)66-37-60(3,89)48-33-68-73-78(48)42-31-46(55(84)70-61(50(79)52(64)81)22-12-6-13-23-61)76(36-42)58(87)44(29-39-18-10-5-11-19-39)69-53(82)40-20-21-49-65-26-27-74(49)34-40/h20-21,26-27,32-34,38-39,41-46,88-89H,4-19,22-25,28-31,35-37,63H2,1-3H3,(H2,64,81)(H,66,85)(H,69,82)(H,70,84)(H,71,83)/t41-,42-,43+,44+,45-,46-,60?/m0/s1
• InChIKey: VERGMFBMLBDDEX-LMJAOLNOSA-N
• XLogP: 2.38
• TPSA: 379.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1233.49
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 138738990) is N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)(O)c1cnnn1[C@H]1C[C@@H](C(=O)NC2(C(=O)C(=O)NCC(C)(O)c3cnnn3[C@H]3C[C@@H](C(=O)NC4(C(=O)C(N)=O)CCCCC4)N(C(=O)[C@@H](CC4CCCCC4)NC(=O)c4ccc5nccn5c4)C3)CCCCC2)N(C(=O)[C@H](N)CC2CCCCC2)C1.

What is the InChIKey of N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is VERGMFBMLBDDEX-LMJAOLNOSA-N. The full InChI is InChI=1S/C62H88N16O11/c1-59(2,88)47-32-67-72-77(47)41-30-45(75(35-41)57(86)43(63)28-38-16-8-4-9-17-38)54(83)71-62(24-14-7-15-25-62)51(80)56(85)66-37-60(3,89)48-33-68-73-78(48)42-31-46(55(84)70-61(50(79)52(64)81)22-12-6-13-23-61)76(36-42)58(87)44(29-39-18-10-5-11-19-39)69-53(82)40-20-21-49-65-26-27-74(49)34-40/h20-21,26-27,32-34,38-39,41-46,88-89H,4-19,22-25,28-31,35-37,63H2,1-3H3,(H2,64,81)(H,66,85)(H,69,82)(H,70,84)(H,71,83)/t41-,42-,43+,44+,45-,46-,60?/m0/s1.

What are the key properties of N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 1233.49 g/mol, XLogP of 2.38, 22 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(2S,4S)-4-[5-[1-[[2-[1-[[(2S,4S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]pyrrolidine-2-carbonyl]amino]cyclohexyl]-2-oxoacetyl]amino]-2-hydroxypropan-2-yl]triazol-1-yl]-2-[(1-oxamoylcyclohexyl)carbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 138738990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).