[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol

C19H24N4O2 — CID 46239124

IUPAC[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCCC(CO)C3)c2c1
InChIInChI=1S/C19H24N4O2/c1-11-7-14(25-3)8-15-17(11)20-19-16(12(2)21-22-19)18(15)23-6-4-5-13(9-23)10-24/h7-8,13,24H,4-6,9-10H2,1-3H3,(H,20,21,22)
InChIKeyJVYJAMBDANQBSU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.95
Rot. Bonds3

About [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol

[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol (PubChem CID 46239124) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol
PubChem CID46239124
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCCC(CO)C3)c2c1
InChIInChI=1S/C19H24N4O2/c1-11-7-14(25-3)8-15-17(11)20-19-16(12(2)21-22-19)18(15)23-6-4-5-13(9-23)10-24/h7-8,13,24H,4-6,9-10H2,1-3H3,(H,20,21,22)
InChIKeyJVYJAMBDANQBSU-UHFFFAOYSA-N
XLogP2.95
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol (CID 46239124) is [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol is COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCCC(CO)C3)c2c1.
What is the InChIKey of [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is JVYJAMBDANQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-7-14(25-3)8-15-17(11)20-19-16(12(2)21-22-19)18(15)23-6-4-5-13(9-23)10-24/h7-8,13,24H,4-6,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol?
[1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 340.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 46239124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).