(2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol

C25H33N7O3 — CID 68899462

About (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol

(2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol (PubChem CID 68899462) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol.

Molecular Properties

• Compound Name: (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol
• PubChem CID: 68899462
• Molecular Formula: C25H33N7O3
• Molecular Weight: 479.59 g/mol
• Exact Mass: 479.26
• IUPAC Name: (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN[C@H](CO)CC(C)C)c21
• InChI: InChI=1S/C25H33N7O3/c1-4-32-23-19(34-12-8-11-27-18(15-33)13-16(2)3)14-28-20(17-9-6-5-7-10-17)21(23)29-25(32)22-24(26)31-35-30-22/h5-7,9-10,14,16,18,27,33H,4,8,11-13,15H2,1-3H3,(H2,26,31)/t18-/m0/s1
• InChIKey: SYDNWOWZQWUTJM-SFHVURJKSA-N
• XLogP: 3.52
• TPSA: 137.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.59
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol?

The IUPAC name of (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol (CID 68899462) is (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol.

What is the SMILES notation for (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol?

The canonical SMILES for (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN[C@H](CO)CC(C)C)c21.

What is the InChIKey of (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol?

The InChIKey is SYDNWOWZQWUTJM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-4-32-23-19(34-12-8-11-27-18(15-33)13-16(2)3)14-28-20(17-9-6-5-7-10-17)21(23)29-25(32)22-24(26)31-35-30-22/h5-7,9-10,14,16,18,27,33H,4,8,11-13,15H2,1-3H3,(H2,26,31)/t18-/m0/s1.

What are the key properties of (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol?

(2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol has a molecular weight of 479.59 g/mol, XLogP of 3.52, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 68899462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).