6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C24H24ClN5O4 — CID 145343782

About 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 145343782) has the molecular formula C24H24ClN5O4 and a molecular weight of 481.94 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 145343782
• Molecular Formula: C24H24ClN5O4
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.15
• IUPAC Name: 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn2cc(Cl)ccc2n1
• InChI: InChI=1S/C24H24ClN5O4/c25-17-6-7-21-28-20(13-30(21)12-17)24(34)29-19(10-15-4-2-1-3-5-15)23(33)27-18(14-31)11-16-8-9-26-22(16)32/h1-7,12-14,16,18-19H,8-11H2,(H,26,32)(H,27,33)(H,29,34)/t16-,18-,19-/m0/s1
• InChIKey: JRPQPNWJIYOBNU-WDSOQIARSA-N
• XLogP: 1.54
• TPSA: 121.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 145343782) is 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cn2cc(Cl)ccc2n1.

What is the InChIKey of 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is JRPQPNWJIYOBNU-WDSOQIARSA-N. The full InChI is InChI=1S/C24H24ClN5O4/c25-17-6-7-21-28-20(13-30(21)12-17)24(34)29-19(10-15-4-2-1-3-5-15)23(33)27-18(14-31)11-16-8-9-26-22(16)32/h1-7,12-14,16,18-19H,8-11H2,(H,26,32)(H,27,33)(H,29,34)/t16-,18-,19-/m0/s1.

What are the key properties of 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?

6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 481.94 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[(2S)-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-3-phenylpropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 145343782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).