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

C25H33N5O5 — CID 10050976

IUPAC[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NCCCO)n12
InChIInChI=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)/t21-/m1/s1
InChIKeyVOYPGJDNXNYJKY-OAQYLSRUSA-N
MW483.57 g/mol
LogP2.05
Rot. Bonds12

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

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate (PubChem CID 10050976) has the molecular formula C25H33N5O5 and a molecular weight of 483.57 g/mol. Its IUPAC name is [3-[(1S)-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-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate
PubChem CID10050976
Molecular FormulaC25H33N5O5
Molecular Weight483.57 g/mol
Exact Mass483.25
IUPAC Name[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NCCCO)n12
InChIInChI=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)/t21-/m1/s1
InChIKeyVOYPGJDNXNYJKY-OAQYLSRUSA-N
XLogP2.05
TPSA140.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-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-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate (CID 10050976) is [3-[(1S)-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-[(1S)-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-[(1S)-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)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NCCCO)n12.
What is the InChIKey of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate?
The InChIKey is VOYPGJDNXNYJKY-OAQYLSRUSA-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)/t21-/m1/s1.
What are the key properties of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-(3-hydroxypropyl)carbamate?
[3-[(1S)-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-[(1S)-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 10050976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).