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

C15H11FN6S — CID 146268705

IUPAC2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3cccc(F)c3)cc12
InChIInChI=1S/C15H11FN6S/c16-10-3-1-2-9(6-10)7-22-8-11-13(17)18-15(19-14(11)20-22)12-4-5-23-21-12/h1-6,8H,7H2,(H2,17,18,19,20)
InChIKeyIFGYUTFWMUOCGS-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.72
Rot. Bonds3

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

2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 146268705) has the molecular formula C15H11FN6S and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID146268705
Molecular FormulaC15H11FN6S
Molecular Weight326.36 g/mol
Exact Mass326.07
IUPAC Name2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccsn2)nc2nn(Cc3cccc(F)c3)cc12
InChIInChI=1S/C15H11FN6S/c16-10-3-1-2-9(6-10)7-22-8-11-13(17)18-15(19-14(11)20-22)12-4-5-23-21-12/h1-6,8H,7H2,(H2,17,18,19,20)
InChIKeyIFGYUTFWMUOCGS-UHFFFAOYSA-N
XLogP2.72
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2-methylphenyl)methyl]-6-pyrazin-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 146268686
1-[(3-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-amine
CID 83222946
3-(5-chlorothiophen-2-yl)-1-[(3-fluorophenyl)methyl]pyrazol-4-amine
CID 83223172
2-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 175947933
1-[(3-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 63278513
1-[(3-fluorophenyl)methyl]triazole
CID 12811470
5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 115114391
2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171172
1-[(3-fluorophenyl)methyl]-3-iodo-1,2,4-triazole
CID 79784814
2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171339
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]aniline
CID 63338628
2-[(3-fluorophenyl)methyl]-1,3-dihydroisoindol-4-amine
CID 43370224

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 146268705) is 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccsn2)nc2nn(Cc3cccc(F)c3)cc12.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IFGYUTFWMUOCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6S/c16-10-3-1-2-9(6-10)7-22-8-11-13(17)18-15(19-14(11)20-22)12-4-5-23-21-12/h1-6,8H,7H2,(H2,17,18,19,20).
What are the key properties of 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 326.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 146268705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).