[3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate

C25H33N5O5 — CID 58783760

About [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate

[3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate (PubChem CID 58783760) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate.

Molecular Properties

• Compound Name: [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate
• PubChem CID: 58783760
• Molecular Formula: C25H33N5O5
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.25
• IUPAC Name: [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate
• SMILES: CC(C)(N)C(=O)NC(COCc1ccccc1)c1ncc2cccc(COC(=O)NCCCO)n12
• InChI: InChI=1S/C25H33N5O5/c1-25(2,26)23(32)29-21(17-34-15-18-8-4-3-5-9-18)22-28-14-19-10-6-11-20(30(19)22)16-35-24(33)27-12-7-13-31/h3-6,8-11,14,21,31H,7,12-13,15-17,26H2,1-2H3,(H,27,33)(H,29,32)
• InChIKey: VOYPGJDNXNYJKY-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 140.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate?

The IUPAC name of [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate (CID 58783760) is [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate.

What is the SMILES notation for [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate?

The canonical SMILES for [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate is CC(C)(N)C(=O)NC(COCc1ccccc1)c1ncc2cccc(COC(=O)NCCCO)n12.

What is the InChIKey of [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate?

The InChIKey is VOYPGJDNXNYJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O5/c1-25(2,26)23(32)29-21(17-34-15-18-8-4-3-5-9-18)22-28-14-19-10-6-11-20(30(19)22)16-35-24(33)27-12-7-13-31/h3-6,8-11,14,21,31H,7,12-13,15-17,26H2,1-2H3,(H,27,33)(H,29,32).

What are the key properties of [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate?

[3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate has a molecular weight of 483.57 g/mol, XLogP of 2.05, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 58783760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).