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

C16H11F3N6OS — CID 146268701

IUPAC6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C16H11F3N6OS/c17-16(18,19)26-10-3-1-2-9(6-10)7-25-8-11-13(20)21-15(22-14(11)23-25)12-4-5-27-24-12/h1-6,8H,7H2,(H2,20,21,22,23)
InChIKeyLAJJLBVBYUUMAK-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.48
Rot. Bonds4

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

6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268701) has the molecular formula C16H11F3N6OS and a molecular weight of 392.37 g/mol. Its IUPAC name is 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268701
Molecular FormulaC16H11F3N6OS
Molecular Weight392.37 g/mol
Exact Mass392.07
IUPAC Name6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C16H11F3N6OS/c17-16(18,19)26-10-3-1-2-9(6-10)7-25-8-11-13(20)21-15(22-14(11)23-25)12-4-5-27-24-12/h1-6,8H,7H2,(H2,20,21,22,23)
InChIKeyLAJJLBVBYUUMAK-UHFFFAOYSA-N
XLogP3.48
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazole-1-carbothioamide
CID 56668782
2-Amino-5-[3-difluoromethoxyphenyl][1,2,4]triazolo[1,5-c]pyrimidine
CID 13590344
2-(3-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 49790461
6-Thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 155547024
6-(1-Methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 155554469
3-Thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 155565998
4-[5-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 168070175
US11786528, Example 2
CID 146268674
US11786528, Example 44
CID 146268691
US11786528, Example 25
CID 146268698
US11786528, Example 42
CID 146268699
US11786528, Example 10
CID 146268703

Frequently Asked Questions

What is the IUPAC name of 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268701) is 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccsn2)nc2nn(Cc3cccc(OC(F)(F)F)c3)cc12.
What is the InChIKey of 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LAJJLBVBYUUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6OS/c17-16(18,19)26-10-3-1-2-9(6-10)7-25-8-11-13(20)21-15(22-14(11)23-25)12-4-5-27-24-12/h1-6,8H,7H2,(H2,20,21,22,23).
What are the key properties of 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 392.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-thiazol-3-yl)-2-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).