4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C20H25N7O3 — CID 25023734

IUPAC4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC3CCNCC3)c21
InChIInChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)
InChIKeyOEMAOMXEFJMDSR-UHFFFAOYSA-N
MW411.47 g/mol
LogP1.34
Rot. Bonds4

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 25023734) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
PubChem CID25023734
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC3CCNCC3)c21
InChIInChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26)
InChIKeyOEMAOMXEFJMDSR-UHFFFAOYSA-N
XLogP1.34
TPSA137.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[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-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 25023734) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[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-7-piperidin-4-yloxyimidazo[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-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC3CCNCC3)c21.
What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is OEMAOMXEFJMDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-4-27-17-14(29-12-6-9-22-10-7-12)11-23-13(5-8-20(2,3)28)15(17)24-19(27)16-18(21)26-30-25-16/h11-12,22,28H,4,6-7,9-10H2,1-3H3,(H2,21,26).
What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol?
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 411.47 g/mol, XLogP of 1.34, 4 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)-1-ethyl-7-piperidin-4-yloxyimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 25023734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).