3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid

C25H34N6O4 — CID 67420587

About 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid

3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid (PubChem CID 67420587) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid.

Molecular Properties

• Compound Name: 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid
• PubChem CID: 67420587
• Molecular Formula: C25H34N6O4
• Molecular Weight: 482.59 g/mol
• Exact Mass: 482.26
• IUPAC Name: 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid
• SMILES: CCc1cc(-c2noc(-c3nn(CC)c4c3CCC(C)(C)C4)n2)c(C)nc1OCCCNC(=O)O
• InChI: InChI=1S/C25H34N6O4/c1-6-16-13-18(15(3)27-22(16)34-12-8-11-26-24(32)33)21-28-23(35-30-21)20-17-9-10-25(4,5)14-19(17)31(7-2)29-20/h13,26H,6-12,14H2,1-5H3,(H,32,33)
• InChIKey: AVFZVTISWFNVFB-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 128.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.59
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid?

The IUPAC name of 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid (CID 67420587) is 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid.

What is the SMILES notation for 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid?

The canonical SMILES for 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid is CCc1cc(-c2noc(-c3nn(CC)c4c3CCC(C)(C)C4)n2)c(C)nc1OCCCNC(=O)O.

What is the InChIKey of 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid?

The InChIKey is AVFZVTISWFNVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-6-16-13-18(15(3)27-22(16)34-12-8-11-26-24(32)33)21-28-23(35-30-21)20-17-9-10-25(4,5)14-19(17)31(7-2)29-20/h13,26H,6-12,14H2,1-5H3,(H,32,33).

What are the key properties of 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid?

3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid has a molecular weight of 482.59 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-ethyl-5-[5-(1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-2-pyridinyl]oxy]propylcarbamic acid is sourced from PubChem (CID 67420587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).