[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate

C27H35N5O4 — CID 70927527

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

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate (PubChem CID 70927527) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate
• PubChem CID: 70927527
• Molecular Formula: C27H35N5O4
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.27
• IUPAC Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate
• SMILES: CC1CCCN1C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12
• InChI: InChI=1S/C27H35N5O4/c1-19-9-8-14-31(19)26(34)36-17-22-13-7-12-21-15-29-24(32(21)22)23(30-25(33)27(2,3)28)18-35-16-20-10-5-4-6-11-20/h4-7,10-13,15,19,23H,8-9,14,16-18,28H2,1-3H3,(H,30,33)/t19?,23-/m1/s1
• InChIKey: QYJXHDIVYNIRSL-LEQGEALCSA-N
• XLogP: 3.57
• TPSA: 111.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 2-methylpyrrolidine-1-carboxylate?

The IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate (CID 70927527) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate.

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

The canonical SMILES for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate is CC1CCCN1C(=O)OCc1cccc2cnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12.

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

The InChIKey is QYJXHDIVYNIRSL-LEQGEALCSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-19-9-8-14-31(19)26(34)36-17-22-13-7-12-21-15-29-24(32(21)22)23(30-25(33)27(2,3)28)18-35-16-20-10-5-4-6-11-20/h4-7,10-13,15,19,23H,8-9,14,16-18,28H2,1-3H3,(H,30,33)/t19?,23-/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 2-methylpyrrolidine-1-carboxylate?

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]imidazo[1,5-a]pyridin-5-yl]methyl 2-methylpyrrolidine-1-carboxylate has a molecular weight of 493.61 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 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 2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 70927527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).