1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine

C17H22N4 — CID 24766988

IUPAC1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine
SMILESCCC(CC)Nc1c2ccccc2nc2c1c(C)nn2C
InChIInChI=1S/C17H22N4/c1-5-12(6-2)18-16-13-9-7-8-10-14(13)19-17-15(16)11(3)20-21(17)4/h7-10,12H,5-6H2,1-4H3,(H,18,19)
InChIKeyXZLLPINJBJERAJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.03
Rot. Bonds4

About 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine

1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine (PubChem CID 24766988) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine
PubChem CID24766988
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine
SMILESCCC(CC)Nc1c2ccccc2nc2c1c(C)nn2C
InChIInChI=1S/C17H22N4/c1-5-12(6-2)18-16-13-9-7-8-10-14(13)19-17-15(16)11(3)20-21(17)4/h7-10,12H,5-6H2,1-4H3,(H,18,19)
InChIKeyXZLLPINJBJERAJ-UHFFFAOYSA-N
XLogP4.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-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 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine?
The IUPAC name of 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine (CID 24766988) is 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine is CCC(CC)Nc1c2ccccc2nc2c1c(C)nn2C.
What is the InChIKey of 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine?
The InChIKey is XZLLPINJBJERAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-5-12(6-2)18-16-13-9-7-8-10-14(13)19-17-15(16)11(3)20-21(17)4/h7-10,12H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine?
1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-pentan-3-ylpyrazolo[3,4-b]quinolin-4-amine is sourced from PubChem (CID 24766988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).