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

C26H33N5O5 — CID 58784224

IUPAC[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NC3(CO)CC3)n12
InChIInChI=1S/C26H33N5O5/c1-25(2,27)23(33)29-21(16-35-14-18-7-4-3-5-8-18)22-28-13-19-9-6-10-20(31(19)22)15-36-24(34)30-26(17-32)11-12-26/h3-10,13,21,32H,11-12,14-17,27H2,1-2H3,(H,29,33)(H,30,34)/t21-/m1/s1
InChIKeyFPKAPTQXQMHUJR-OAQYLSRUSA-N
MW495.58 g/mol
LogP2.20
Rot. Bonds11

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

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate (PubChem CID 58784224) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 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-[1-(hydroxymethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Name[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
PubChem CID58784224
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC Name[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NC3(CO)CC3)n12
InChIInChI=1S/C26H33N5O5/c1-25(2,27)23(33)29-21(16-35-14-18-7-4-3-5-8-18)22-28-13-19-9-6-10-20(31(19)22)15-36-24(34)30-26(17-32)11-12-26/h3-10,13,21,32H,11-12,14-17,27H2,1-2H3,(H,29,33)(H,30,34)/t21-/m1/s1
InChIKeyFPKAPTQXQMHUJR-OAQYLSRUSA-N
XLogP2.20
TPSA140.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-[1-(hydroxymethyl)cyclopropyl]carbamate?
The IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate (CID 58784224) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]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-[1-(hydroxymethyl)cyclopropyl]carbamate?
The canonical SMILES for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1ncc2cccc(COC(=O)NC3(CO)CC3)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-[1-(hydroxymethyl)cyclopropyl]carbamate?
The InChIKey is FPKAPTQXQMHUJR-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-25(2,27)23(33)29-21(16-35-14-18-7-4-3-5-8-18)22-28-13-19-9-6-10-20(31(19)22)15-36-24(34)30-26(17-32)11-12-26/h3-10,13,21,32H,11-12,14-17,27H2,1-2H3,(H,29,33)(H,30,34)/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-[1-(hydroxymethyl)cyclopropyl]carbamate?
[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl N-[1-(hydroxymethyl)cyclopropyl]carbamate has a molecular weight of 495.58 g/mol, XLogP of 2.20, 11 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-[1-(hydroxymethyl)cyclopropyl]carbamate is sourced from PubChem (CID 58784224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).