1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

C19H22N4O2 — CID 91790405

IUPAC1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCc1ccc2c(N3CCn4nc(C(O)CO)cc4C3)ccnc2c1C
InChIInChI=1S/C19H22N4O2/c1-12-3-4-15-17(5-6-20-19(15)13(12)2)22-7-8-23-14(10-22)9-16(21-23)18(25)11-24/h3-6,9,18,24-25H,7-8,10-11H2,1-2H3
InChIKeyOZQAIPVIHYVEND-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.09
Rot. Bonds3

About 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol

1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (PubChem CID 91790405) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
PubChem CID91790405
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
SMILESCc1ccc2c(N3CCn4nc(C(O)CO)cc4C3)ccnc2c1C
InChIInChI=1S/C19H22N4O2/c1-12-3-4-15-17(5-6-20-19(15)13(12)2)22-7-8-23-14(10-22)9-16(21-23)18(25)11-24/h3-6,9,18,24-25H,7-8,10-11H2,1-2H3
InChIKeyOZQAIPVIHYVEND-UHFFFAOYSA-N
XLogP2.09
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The IUPAC name of 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol (CID 91790405) is 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The canonical SMILES for 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is Cc1ccc2c(N3CCn4nc(C(O)CO)cc4C3)ccnc2c1C.
What is the InChIKey of 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
The InChIKey is OZQAIPVIHYVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-3-4-15-17(5-6-20-19(15)13(12)2)22-7-8-23-14(10-22)9-16(21-23)18(25)11-24/h3-6,9,18,24-25H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol?
1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol has a molecular weight of 338.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7,8-dimethylquinolin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol is sourced from PubChem (CID 91790405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).