[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate

C26H34N6O5 — CID 58783929

About [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate (PubChem CID 58783929) has the molecular formula C26H34N6O5 and a molecular weight of 510.60 g/mol. Its IUPAC name is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate.

Molecular Properties

• Compound Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate
• PubChem CID: 58783929
• Molecular Formula: C26H34N6O5
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.26
• IUPAC Name: [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate
• SMILES: CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3C)NC(=O)C(C)(C)N)n12
• InChI: InChI=1S/C26H34N6O5/c1-17-9-6-7-10-19(17)14-36-16-21(28-24(34)26(3,4)27)23-30-29-22-12-8-11-20(32(22)23)15-37-25(35)31(5)13-18(2)33/h6-12,21H,13-16,27H2,1-5H3,(H,28,34)/t21-/m1/s1
• InChIKey: JJBASSYISAICIE-OAQYLSRUSA-N
• XLogP: 2.31
• TPSA: 141.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate?

The IUPAC name of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate (CID 58783929) is [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate.

What is the SMILES notation for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate?

The canonical SMILES for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate is CC(=O)CN(C)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3C)NC(=O)C(C)(C)N)n12.

What is the InChIKey of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate?

The InChIKey is JJBASSYISAICIE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H34N6O5/c1-17-9-6-7-10-19(17)14-36-16-21(28-24(34)26(3,4)27)23-30-29-22-12-8-11-20(32(22)23)15-37-25(35)31(5)13-18(2)33/h6-12,21H,13-16,27H2,1-5H3,(H,28,34)/t21-/m1/s1.

What are the key properties of [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate?

[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate has a molecular weight of 510.60 g/mol, XLogP of 2.31, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-[(2-methylphenyl)methoxy]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-methyl-N-(2-oxopropyl)carbamate is sourced from PubChem (CID 58783929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).