4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline

C19H23FN4O — CID 46239331

IUPAC4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(F)CC3)c2c1
InChIInChI=1S/C19H23FN4O/c1-11-8-14(25-3)9-15-16(10-24-6-4-13(20)5-7-24)17-12(2)22-23-19(17)21-18(11)15/h8-9,13H,4-7,10H2,1-3H3,(H,21,22,23)
InChIKeyHQFOEVLVJJMKHV-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.67
Rot. Bonds3

About 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline

4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (PubChem CID 46239331) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.

Molecular Properties

Compound Name4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
PubChem CID46239331
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(F)CC3)c2c1
InChIInChI=1S/C19H23FN4O/c1-11-8-14(25-3)9-15-16(10-24-6-4-13(20)5-7-24)17-12(2)22-23-19(17)21-18(11)15/h8-9,13H,4-7,10H2,1-3H3,(H,21,22,23)
InChIKeyHQFOEVLVJJMKHV-UHFFFAOYSA-N
XLogP3.67
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline (CID 46239331) is 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline.
What is the SMILES notation for 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The canonical SMILES for 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is COc1cc(C)c2nc3n[nH]c(C)c3c(CN3CCC(F)CC3)c2c1.
What is the InChIKey of 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
The InChIKey is HQFOEVLVJJMKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-11-8-14(25-3)9-15-16(10-24-6-4-13(20)5-7-24)17-12(2)22-23-19(17)21-18(11)15/h8-9,13H,4-7,10H2,1-3H3,(H,21,22,23).
What are the key properties of 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline?
4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline has a molecular weight of 342.42 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoropiperidin-1-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline is sourced from PubChem (CID 46239331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).