tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C26H38ClN7O6 — CID 87763332

About tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 87763332) has the molecular formula C26H38ClN7O6 and a molecular weight of 580.09 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 87763332
• Molecular Formula: C26H38ClN7O6
• Molecular Weight: 580.09 g/mol
• Exact Mass: 579.26
• IUPAC Name: tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: CCCC(COc1cnc(Cl)c2nc(-c3nonc3N)n(CC)c12)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C26H38ClN7O6/c1-9-11-15(13-34(23(35)38-25(3,4)5)24(36)39-26(6,7)8)14-37-16-12-29-20(27)17-19(16)33(10-2)22(30-17)18-21(28)32-40-31-18/h12,15H,9-11,13-14H2,1-8H3,(H2,28,32)
• InChIKey: VUDRPTYLOBMYQB-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 160.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	580.09
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 87763332) is tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CCCC(COc1cnc(Cl)c2nc(-c3nonc3N)n(CC)c12)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is VUDRPTYLOBMYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38ClN7O6/c1-9-11-15(13-34(23(35)38-25(3,4)5)24(36)39-26(6,7)8)14-37-16-12-29-20(27)17-19(16)33(10-2)22(30-17)18-21(28)32-40-31-18/h12,15H,9-11,13-14H2,1-8H3,(H2,28,32).

What are the key properties of tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 580.09 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 87763332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).