1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C19H20N6 — CID 75470437

IUPAC1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ncc2c(NCc3ccnc4ccccc34)ncnc21
InChIInChI=1S/C19H20N6/c1-19(2,3)25-18-15(11-24-25)17(22-12-23-18)21-10-13-8-9-20-16-7-5-4-6-14(13)16/h4-9,11-12H,10H2,1-3H3,(H,21,22,23)
InChIKeyUZSXPNSATLXIJH-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.74
Rot. Bonds3

About 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 75470437) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID75470437
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1ncc2c(NCc3ccnc4ccccc34)ncnc21
InChIInChI=1S/C19H20N6/c1-19(2,3)25-18-15(11-24-25)17(22-12-23-18)21-10-13-8-9-20-16-7-5-4-6-14(13)16/h4-9,11-12H,10H2,1-3H3,(H,21,22,23)
InChIKeyUZSXPNSATLXIJH-UHFFFAOYSA-N
XLogP3.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 75470437) is 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1ncc2c(NCc3ccnc4ccccc34)ncnc21.
What is the InChIKey of 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UZSXPNSATLXIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-19(2,3)25-18-15(11-24-25)17(22-12-23-18)21-10-13-8-9-20-16-7-5-4-6-14(13)16/h4-9,11-12H,10H2,1-3H3,(H,21,22,23).
What are the key properties of 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(quinolin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 75470437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).