1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

C18H19ClN6 — CID 70682514

IUPAC1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCC(C)(C)n1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21.Cl
InChIInChI=1S/C18H18N6.ClH/c1-18(2,3)24-17-14(16(19)21-10-22-17)15(23-24)12-6-7-13-11(9-12)5-4-8-20-13;/h4-10H,1-3H3,(H2,19,21,22);1H
InChIKeySOYVFMUHPUQYTD-UHFFFAOYSA-N
MW354.85 g/mol
LogP3.80
Rot. Bonds1

About 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride

1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (PubChem CID 70682514) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
PubChem CID70682514
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
SMILESCC(C)(C)n1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21.Cl
InChIInChI=1S/C18H18N6.ClH/c1-18(2,3)24-17-14(16(19)21-10-22-17)15(23-24)12-6-7-13-11(9-12)5-4-8-20-13;/h4-10H,1-3H3,(H2,19,21,22);1H
InChIKeySOYVFMUHPUQYTD-UHFFFAOYSA-N
XLogP3.80
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride (CID 70682514) is 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is CC(C)(C)n1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21.Cl.
What is the InChIKey of 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is SOYVFMUHPUQYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6.ClH/c1-18(2,3)24-17-14(16(19)21-10-22-17)15(23-24)12-6-7-13-11(9-12)5-4-8-20-13;/h4-10H,1-3H3,(H2,19,21,22);1H.
What are the key properties of 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride?
1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 354.85 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 70682514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).