2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol

C10H9ClN6O2 — CID 136646092

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol
SMILESCCc1nc(Cl)c2nc(-c3nonc3N)[nH]c2c1O
InChIInChI=1S/C10H9ClN6O2/c1-2-3-7(18)4-5(8(11)13-3)15-10(14-4)6-9(12)17-19-16-6/h18H,2H2,1H3,(H2,12,17)(H,14,15)
InChIKeyRMQRFKQUGYBLNI-UHFFFAOYSA-N
MW280.68 g/mol
LogP1.51
Rot. Bonds2

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol (PubChem CID 136646092) has the molecular formula C10H9ClN6O2 and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol
PubChem CID136646092
Molecular FormulaC10H9ClN6O2
Molecular Weight280.68 g/mol
Exact Mass280.05
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol
SMILESCCc1nc(Cl)c2nc(-c3nonc3N)[nH]c2c1O
InChIInChI=1S/C10H9ClN6O2/c1-2-3-7(18)4-5(8(11)13-3)15-10(14-4)6-9(12)17-19-16-6/h18H,2H2,1H3,(H2,12,17)(H,14,15)
InChIKeyRMQRFKQUGYBLNI-UHFFFAOYSA-N
XLogP1.51
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol (CID 136646092) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol is CCc1nc(Cl)c2nc(-c3nonc3N)[nH]c2c1O.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol?
The InChIKey is RMQRFKQUGYBLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O2/c1-2-3-7(18)4-5(8(11)13-3)15-10(14-4)6-9(12)17-19-16-6/h18H,2H2,1H3,(H2,12,17)(H,14,15).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol?
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol has a molecular weight of 280.68 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-6-ethyl-1H-imidazo[4,5-c]pyridin-7-ol is sourced from PubChem (CID 136646092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).