[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride

C17H17ClN6O2 — CID 69159412

IUPAC[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride
SMILESCCn1c(-c2nonc2N)nc2cncc(-c3cccc(CO)c3)c21.Cl
InChIInChI=1S/C17H16N6O2.ClH/c1-2-23-15-12(11-5-3-4-10(6-11)9-24)7-19-8-13(15)20-17(23)14-16(18)22-25-21-14;/h3-8,24H,2,9H2,1H3,(H2,18,22);1H
InChIKeyRQKCWBJOWJQWRN-UHFFFAOYSA-N
MW372.82 g/mol
LogP2.66
Rot. Bonds4

About [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride

[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride (PubChem CID 69159412) has the molecular formula C17H17ClN6O2 and a molecular weight of 372.82 g/mol. Its IUPAC name is [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride
PubChem CID69159412
Molecular FormulaC17H17ClN6O2
Molecular Weight372.82 g/mol
Exact Mass372.11
IUPAC Name[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride
SMILESCCn1c(-c2nonc2N)nc2cncc(-c3cccc(CO)c3)c21.Cl
InChIInChI=1S/C17H16N6O2.ClH/c1-2-23-15-12(11-5-3-4-10(6-11)9-24)7-19-8-13(15)20-17(23)14-16(18)22-25-21-14;/h3-8,24H,2,9H2,1H3,(H2,18,22);1H
InChIKeyRQKCWBJOWJQWRN-UHFFFAOYSA-N
XLogP2.66
TPSA115.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride?
The IUPAC name of [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride (CID 69159412) is [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride.
What is the SMILES notation for [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride?
The canonical SMILES for [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride is CCn1c(-c2nonc2N)nc2cncc(-c3cccc(CO)c3)c21.Cl.
What is the InChIKey of [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride?
The InChIKey is RQKCWBJOWJQWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2.ClH/c1-2-23-15-12(11-5-3-4-10(6-11)9-24)7-19-8-13(15)20-17(23)14-16(18)22-25-21-14;/h3-8,24H,2,9H2,1H3,(H2,18,22);1H.
What are the key properties of [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride?
[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride has a molecular weight of 372.82 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 69159412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).