tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate

C26H35N7O5 — CID 140531132

About tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate (PubChem CID 140531132) has the molecular formula C26H35N7O5 and a molecular weight of 525.61 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate
• PubChem CID: 140531132
• Molecular Formula: C26H35N7O5
• Molecular Weight: 525.61 g/mol
• Exact Mass: 525.27
• IUPAC Name: tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC[C@@H]3CCCN3C(=O)OC(C)(C)C)c21
• InChI: InChI=1S/C26H35N7O5/c1-7-32-21-18(36-14-11-16-9-8-13-33(16)24(34)37-25(2,3)4)15-28-17(10-12-26(5,6)35)19(21)29-23(32)20-22(27)31-38-30-20/h15-16,35H,7-9,11,13-14H2,1-6H3,(H2,27,31)/t16-/m0/s1
• InChIKey: GPOSLCBBAXKMST-INIZCTEOSA-N
• XLogP: 3.37
• TPSA: 154.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.61
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate (CID 140531132) is tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC[C@@H]3CCCN3C(=O)OC(C)(C)C)c21.

What is the InChIKey of tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate?

The InChIKey is GPOSLCBBAXKMST-INIZCTEOSA-N. The full InChI is InChI=1S/C26H35N7O5/c1-7-32-21-18(36-14-11-16-9-8-13-33(16)24(34)37-25(2,3)4)15-28-17(10-12-26(5,6)35)19(21)29-23(32)20-22(27)31-38-30-20/h15-16,35H,7-9,11,13-14H2,1-6H3,(H2,27,31)/t16-/m0/s1.

What are the key properties of tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate?

tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate has a molecular weight of 525.61 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 140531132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).