N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride

C43H60Cl3N9O5 — CID 167436769

About N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride

N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride (PubChem CID 167436769) has the molecular formula C43H60Cl3N9O5 and a molecular weight of 889.37 g/mol. Its IUPAC name is N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride.

Molecular Properties

• Compound Name: N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride
• PubChem CID: 167436769
• Molecular Formula: C43H60Cl3N9O5
• Molecular Weight: 889.37 g/mol
• Exact Mass: 887.38
• IUPAC Name: N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)c2cn3ccccc3n2)CC1.Cl.Cl.Cl
• InChI: InChI=1S/C43H57N9O5.3ClH/c1-29(2)25-35(50-41(55)36(27-31-15-7-4-8-16-31)49-39(53)33(45)26-30-13-5-3-6-14-30)40(54)48-34(17-9-11-21-44)43(57)51-23-19-32(20-24-51)46-42(56)37-28-52-22-12-10-18-38(52)47-37;;;/h3-8,10,12-16,18,22,28-29,32-36H,9,11,17,19-21,23-27,44-45H2,1-2H3,(H,46,56)(H,48,54)(H,49,53)(H,50,55);3*1H/t33-,34-,35-,36-;;;/m1.../s1
• InChIKey: ZAZRCGKHKYCNIK-WLINPYDYSA-N
• XLogP: 3.76
• TPSA: 206.05 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.37
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride?

The IUPAC name of N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride (CID 167436769) is N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride.

What is the SMILES notation for N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride?

The canonical SMILES for N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride is CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(NC(=O)c2cn3ccccc3n2)CC1.Cl.Cl.Cl.

What is the InChIKey of N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride?

The InChIKey is ZAZRCGKHKYCNIK-WLINPYDYSA-N. The full InChI is InChI=1S/C43H57N9O5.3ClH/c1-29(2)25-35(50-41(55)36(27-31-15-7-4-8-16-31)49-39(53)33(45)26-30-13-5-3-6-14-30)40(54)48-34(17-9-11-21-44)43(57)51-23-19-32(20-24-51)46-42(56)37-28-52-22-12-10-18-38(52)47-37;;;/h3-8,10,12-16,18,22,28-29,32-36H,9,11,17,19-21,23-27,44-45H2,1-2H3,(H,46,56)(H,48,54)(H,49,53)(H,50,55);3*1H/t33-,34-,35-,36-;;;/m1.../s1.

What are the key properties of N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride?

N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride has a molecular weight of 889.37 g/mol, XLogP of 3.76, 19 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide;trihydrochloride is sourced from PubChem (CID 167436769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).