5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol

C17H14N6O — CID 137235399

IUPAC5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol
SMILESCc1cc(C)c2c(/N=N/c3ccc(O)c4ncccc34)[nH]nc2n1
InChIInChI=1S/C17H14N6O/c1-9-8-10(2)19-16-14(9)17(23-21-16)22-20-12-5-6-13(24)15-11(12)4-3-7-18-15/h3-8,24H,1-2H3,(H,19,21,23)/b22-20+
InChIKeyYZVCDYXDLLKTGQ-LSDHQDQOSA-N
MW318.34 g/mol
LogP4.24
Rot. Bonds2

About 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol

5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol (PubChem CID 137235399) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol
PubChem CID137235399
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol
SMILESCc1cc(C)c2c(/N=N/c3ccc(O)c4ncccc34)[nH]nc2n1
InChIInChI=1S/C17H14N6O/c1-9-8-10(2)19-16-14(9)17(23-21-16)22-20-12-5-6-13(24)15-11(12)4-3-7-18-15/h3-8,24H,1-2H3,(H,19,21,23)/b22-20+
InChIKeyYZVCDYXDLLKTGQ-LSDHQDQOSA-N
XLogP4.24
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol?
The IUPAC name of 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol (CID 137235399) is 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol?
The canonical SMILES for 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol is Cc1cc(C)c2c(/N=N/c3ccc(O)c4ncccc34)[nH]nc2n1.
What is the InChIKey of 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol?
The InChIKey is YZVCDYXDLLKTGQ-LSDHQDQOSA-N. The full InChI is InChI=1S/C17H14N6O/c1-9-8-10(2)19-16-14(9)17(23-21-16)22-20-12-5-6-13(24)15-11(12)4-3-7-18-15/h3-8,24H,1-2H3,(H,19,21,23)/b22-20+.
What are the key properties of 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol?
5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol has a molecular weight of 318.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)diazenyl]quinolin-8-ol is sourced from PubChem (CID 137235399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).