6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C16H11F3N6S — CID 146268690

IUPAC6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C16H11F3N6S/c17-16(18,19)10-3-1-9(2-4-10)7-25-8-11-13(20)21-15(22-14(11)23-25)12-5-6-26-24-12/h1-6,8H,7H2,(H2,20,21,22,23)
InChIKeyDIYGADGYKDXRLV-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.60
Rot. Bonds3

About 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine

6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268690) has the molecular formula C16H11F3N6S and a molecular weight of 376.37 g/mol. Its IUPAC name is 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268690
Molecular FormulaC16H11F3N6S
Molecular Weight376.37 g/mol
Exact Mass376.07
IUPAC Name6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C16H11F3N6S/c17-16(18,19)10-3-1-9(2-4-10)7-25-8-11-13(20)21-15(22-14(11)23-25)12-5-6-26-24-12/h1-6,8H,7H2,(H2,20,21,22,23)
InChIKeyDIYGADGYKDXRLV-UHFFFAOYSA-N
XLogP3.60
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Adenosine receptor antagonist 3
CID 146268692
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493
1-(2-Fluorobenzyl)-4-(2-thiazolyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015509
4-[1-(2-Piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-1,2-thiazole
CID 74767364
US10221172, Example 29
CID 121485558
3-(4-Fluorophenyl)-7-(2-thienyl)pyrazolo[1,5-a]pyrimidine
CID 1472857
CID 56657920
CID 56657920
1-[(2-Fluorophenyl)methyl]-4-(1-methylimidazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 22015539
1-[(2-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)pyrazolo[5,4-b]pyridine
CID 44378956
N,1-dimethyl-3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 90005948
N-ethyl-1-methyl-3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 90006003
US11786528, Example 19
CID 146268693

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268690) is 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccsn2)nc2nn(Cc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DIYGADGYKDXRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6S/c17-16(18,19)10-3-1-9(2-4-10)7-25-8-11-13(20)21-15(22-14(11)23-25)12-5-6-26-24-12/h1-6,8H,7H2,(H2,20,21,22,23).
What are the key properties of 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 376.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-thiazol-3-yl)-2-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).