N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide

C27H36N4O5 — CID 167244208

About N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide

N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 167244208) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide
• PubChem CID: 167244208
• Molecular Formula: C27H36N4O5
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.27
• IUPAC Name: N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide
• SMILES: COc1ccc2[nH]c(C(=O)N[C@@](C=O)(CN[C@H](C=O)C[C@@H]3CCNC3=O)CC3CCCCC3)cc2c1
• InChI: InChI=1S/C27H36N4O5/c1-36-22-7-8-23-20(12-22)13-24(30-23)26(35)31-27(17-33,14-18-5-3-2-4-6-18)16-29-21(15-32)11-19-9-10-28-25(19)34/h7-8,12-13,15,17-19,21,29-30H,2-6,9-11,14,16H2,1H3,(H,28,34)(H,31,35)/t19-,21-,27+/m0/s1
• InChIKey: GHIZSYOCNPHBLL-BKCZMFJTSA-N
• XLogP: 2.50
• TPSA: 129.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
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 N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide (CID 167244208) is N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@@](C=O)(CN[C@H](C=O)C[C@@H]3CCNC3=O)CC3CCCCC3)cc2c1.

What is the InChIKey of N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The InChIKey is GHIZSYOCNPHBLL-BKCZMFJTSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-36-22-7-8-23-20(12-22)13-24(30-23)26(35)31-27(17-33,14-18-5-3-2-4-6-18)16-29-21(15-32)11-19-9-10-28-25(19)34/h7-8,12-13,15,17-19,21,29-30H,2-6,9-11,14,16H2,1H3,(H,28,34)(H,31,35)/t19-,21-,27+/m0/s1.

What are the key properties of N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 496.61 g/mol, XLogP of 2.50, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-cyclohexyl-2-formyl-3-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 167244208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).