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

C18H23N5O — CID 46239329

IUPAC1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(N)CC3)c2c1
InChIInChI=1S/C18H23N5O/c1-10-8-13(24-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)23-6-4-12(19)5-7-23/h8-9,12H,4-7,19H2,1-3H3,(H,20,21,22)
InChIKeyYZQDAFRFANSERX-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.66
Rot. Bonds2

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

1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine (PubChem CID 46239329) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine
PubChem CID46239329
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine
SMILESCOc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(N)CC3)c2c1
InChIInChI=1S/C18H23N5O/c1-10-8-13(24-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)23-6-4-12(19)5-7-23/h8-9,12H,4-7,19H2,1-3H3,(H,20,21,22)
InChIKeyYZQDAFRFANSERX-UHFFFAOYSA-N
XLogP2.66
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine (CID 46239329) is 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine is COc1cc(C)c2nc3n[nH]c(C)c3c(N3CCC(N)CC3)c2c1.
What is the InChIKey of 1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine?
The InChIKey is YZQDAFRFANSERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-10-8-13(24-3)9-14-16(10)20-18-15(11(2)21-22-18)17(14)23-6-4-12(19)5-7-23/h8-9,12H,4-7,19H2,1-3H3,(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-4-amine?
1-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)piperidin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 2.66, 2 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-4-amine is sourced from PubChem (CID 46239329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).