3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C17H15ClN6 — CID 24905216

IUPAC3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3nc(Cl)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H15ClN6/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)11-3-5-12-10(7-11)4-6-13(18)22-12/h3-9H,1-2H3,(H2,19,20,21)
InChIKeyQFUHCUNJMQVKME-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.86
Rot. Bonds2

About 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 24905216) has the molecular formula C17H15ClN6 and a molecular weight of 338.80 g/mol. Its IUPAC name is 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID24905216
Molecular FormulaC17H15ClN6
Molecular Weight338.80 g/mol
Exact Mass338.10
IUPAC Name3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(-c2ccc3nc(Cl)ccc3c2)c2c(N)ncnc21
InChIInChI=1S/C17H15ClN6/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)11-3-5-12-10(7-11)4-6-13(18)22-12/h3-9H,1-2H3,(H2,19,20,21)
InChIKeyQFUHCUNJMQVKME-UHFFFAOYSA-N
XLogP3.86
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 24905216) is 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2ccc3nc(Cl)ccc3c2)c2c(N)ncnc21.
What is the InChIKey of 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QFUHCUNJMQVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6/c1-9(2)24-17-14(16(19)20-8-21-17)15(23-24)11-3-5-12-10(7-11)4-6-13(18)22-12/h3-9H,1-2H3,(H2,19,20,21).
What are the key properties of 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.80 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroquinolin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 24905216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).