N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

C34H45N9O7 — CID 146192097

About N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 146192097) has the molecular formula C34H45N9O7 and a molecular weight of 691.79 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 146192097
• Molecular Formula: C34H45N9O7
• Molecular Weight: 691.79 g/mol
• Exact Mass: 691.34
• IUPAC Name: N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-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(N)=O)CCOCC2)N(C(=O)C(CC2CCCCC2)NC(=O)c2ccc3nccn3c2)C1
• InChI: InChI=1S/C34H45N9O7/c1-33(2,49)26-18-37-40-43(26)23-17-25(31(47)39-34(28(44)29(35)45)10-14-50-15-11-34)42(20-23)32(48)24(16-21-6-4-3-5-7-21)38-30(46)22-8-9-27-36-12-13-41(27)19-22/h8-9,12-13,18-19,21,23-25,49H,3-7,10-11,14-17,20H2,1-2H3,(H2,35,45)(H,38,46)(H,39,47)/t23-,24?,25-/m0/s1
• InChIKey: ICKUBUINFSWXPE-PFIFLBKHSA-N
• XLogP: 0.78
• TPSA: 216.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.79
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 146192097) is N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-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(N)=O)CCOCC2)N(C(=O)C(CC2CCCCC2)NC(=O)c2ccc3nccn3c2)C1.

What is the InChIKey of N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is ICKUBUINFSWXPE-PFIFLBKHSA-N. The full InChI is InChI=1S/C34H45N9O7/c1-33(2,49)26-18-37-40-43(26)23-17-25(31(47)39-34(28(44)29(35)45)10-14-50-15-11-34)42(20-23)32(48)24(16-21-6-4-3-5-7-21)38-30(46)22-8-9-27-36-12-13-41(27)19-22/h8-9,12-13,18-19,21,23-25,49H,3-7,10-11,14-17,20H2,1-2H3,(H2,35,45)(H,38,46)(H,39,47)/t23-,24?,25-/m0/s1.

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

N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 691.79 g/mol, XLogP of 0.78, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyclohexyl-1-[(2S,4S)-4-[5-(2-hydroxypropan-2-yl)triazol-1-yl]-2-[(4-oxamoyloxan-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 146192097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).