4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C26H37N7O3 — CID 155431971

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 155431971) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• PubChem CID: 155431971
• Molecular Formula: C26H37N7O3
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.30
• IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CNCC(CC(C)(C)C)C3)c21
• InChI: InChI=1S/C26H37N7O3/c1-7-33-22-19(35-15-17-10-16(12-28-13-17)11-25(2,3)4)14-29-18(8-9-26(5,6)34)20(22)30-24(33)21-23(27)32-36-31-21/h14,16-17,28,34H,7,10-13,15H2,1-6H3,(H2,27,32)/t16?,17-/m0/s1
• InChIKey: YSHAVAZBCZNPSS-DJNXLDHESA-N
• XLogP: 3.25
• TPSA: 137.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 155431971) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

What is the SMILES notation for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The canonical SMILES for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CNCC(CC(C)(C)C)C3)c21.

What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The InChIKey is YSHAVAZBCZNPSS-DJNXLDHESA-N. The full InChI is InChI=1S/C26H37N7O3/c1-7-33-22-19(35-15-17-10-16(12-28-13-17)11-25(2,3)4)14-29-18(8-9-26(5,6)34)20(22)30-24(33)21-23(27)32-36-31-21/h14,16-17,28,34H,7,10-13,15H2,1-6H3,(H2,27,32)/t16?,17-/m0/s1.

What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 495.63 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-[[(3S)-5-(2,2-dimethylpropyl)piperidin-3-yl]methoxy]-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 155431971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).