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

C24H33N7O3 — CID 69108335

IUPAC4-[6-(3-amino-3-cyclohexylpropoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCC(N)C3CCCCC3)cc21
InChIInChI=1S/C24H33N7O3/c1-4-31-18-14-19(33-13-11-16(25)15-8-6-5-7-9-15)27-17(10-12-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h14-16,32H,4-9,11,13,25H2,1-3H3,(H2,26,30)
InChIKeyZKTKHRZORAYTHX-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.88
Rot. Bonds7

About 4-[6-(3-amino-3-cyclohexylpropoxy)-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-(3-amino-3-cyclohexylpropoxy)-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 69108335) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 4-[6-(3-amino-3-cyclohexylpropoxy)-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 Name4-[6-(3-amino-3-cyclohexylpropoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
PubChem CID69108335
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Name4-[6-(3-amino-3-cyclohexylpropoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCC(N)C3CCCCC3)cc21
InChIInChI=1S/C24H33N7O3/c1-4-31-18-14-19(33-13-11-16(25)15-8-6-5-7-9-15)27-17(10-12-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h14-16,32H,4-9,11,13,25H2,1-3H3,(H2,26,30)
InChIKeyZKTKHRZORAYTHX-UHFFFAOYSA-N
XLogP2.88
TPSA151.13 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[6-(3-amino-3-cyclohexylpropoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-amino-3-cyclohexylpropoxy)-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-(3-amino-3-cyclohexylpropoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 69108335) is 4-[6-(3-amino-3-cyclohexylpropoxy)-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-(3-amino-3-cyclohexylpropoxy)-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-(3-amino-3-cyclohexylpropoxy)-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(OCCC(N)C3CCCCC3)cc21.
What is the InChIKey of 4-[6-(3-amino-3-cyclohexylpropoxy)-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 ZKTKHRZORAYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-4-31-18-14-19(33-13-11-16(25)15-8-6-5-7-9-15)27-17(10-12-24(2,3)32)20(18)28-23(31)21-22(26)30-34-29-21/h14-16,32H,4-9,11,13,25H2,1-3H3,(H2,26,30).
What are the key properties of 4-[6-(3-amino-3-cyclohexylpropoxy)-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-(3-amino-3-cyclohexylpropoxy)-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 467.57 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-amino-3-cyclohexylpropoxy)-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 69108335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).