4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C25H29N7O4 — CID 69108118

About 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 69108118) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

• Compound Name: 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• PubChem CID: 69108118
• Molecular Formula: C25H29N7O4
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.23
• IUPAC Name: 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](N)Cc3ccc(OC)cc3)cc21
• InChI: InChI=1S/C25H29N7O4/c1-5-32-19-13-20(35-14-16(26)12-15-6-8-17(34-4)9-7-15)28-18(10-11-25(2,3)33)21(19)29-24(32)22-23(27)31-36-30-22/h6-9,13,16,33H,5,12,14,26H2,1-4H3,(H2,27,31)/t16-/m1/s1
• InChIKey: GYDICOQWZMZGFJ-MRXNPFEDSA-N
• XLogP: 2.16
• TPSA: 160.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	3
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 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The IUPAC name of 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 69108118) is 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

What is the SMILES notation for 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The canonical SMILES for 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](N)Cc3ccc(OC)cc3)cc21.

What is the InChIKey of 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The InChIKey is GYDICOQWZMZGFJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H29N7O4/c1-5-32-19-13-20(35-14-16(26)12-15-6-8-17(34-4)9-7-15)28-18(10-11-25(2,3)33)21(19)29-24(32)22-23(27)31-36-30-22/h6-9,13,16,33H,5,12,14,26H2,1-4H3,(H2,27,31)/t16-/m1/s1.

What are the key properties of 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 491.55 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 69108118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).