4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C26H29N7O4 — CID 69298743

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 69298743) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[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)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• PubChem CID: 69298743
• Molecular Formula: C26H29N7O4
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.23
• IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC(c3ccccc3)[C@@H]3CNCCO3)cc21
• InChI: InChI=1S/C26H29N7O4/c1-4-33-18-14-20(36-23(16-8-6-5-7-9-16)19-15-28-12-13-35-19)29-17(10-11-26(2,3)34)21(18)30-25(33)22-24(27)32-37-31-22/h5-9,14,19,23,28,34H,4,12-13,15H2,1-3H3,(H2,27,32)/t19-,23?/m0/s1
• InChIKey: JYPHZRPEIOEGHP-HSTJUUNISA-N
• XLogP: 2.31
• TPSA: 146.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	2.31
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-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[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)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 69298743) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[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)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[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)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC(c3ccccc3)[C@@H]3CNCCO3)cc21.

What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

The InChIKey is JYPHZRPEIOEGHP-HSTJUUNISA-N. The full InChI is InChI=1S/C26H29N7O4/c1-4-33-18-14-20(36-23(16-8-6-5-7-9-16)19-15-28-12-13-35-19)29-17(10-11-26(2,3)34)21(18)30-25(33)22-24(27)32-37-31-22/h5-9,14,19,23,28,34H,4,12-13,15H2,1-3H3,(H2,27,32)/t19-,23?/m0/s1.

What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 503.56 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 69298743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).