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

C15H11FN6S — CID 22015509

IUPAC1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2nccs2)c2cnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C15H11FN6S/c16-11-4-2-1-3-9(11)8-22-13-10(7-19-22)12(20-15(17)21-13)14-18-5-6-23-14/h1-7H,8H2,(H2,17,20,21)
InChIKeyQHLHZLPICFOIQN-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.72
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015509) has the molecular formula C15H11FN6S and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015509
Molecular FormulaC15H11FN6S
Molecular Weight326.36 g/mol
Exact Mass326.07
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2nccs2)c2cnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C15H11FN6S/c16-11-4-2-1-3-9(11)8-22-13-10(7-19-22)12(20-15(17)21-13)14-18-5-6-23-14/h1-7H,8H2,(H2,17,20,21)
InChIKeyQHLHZLPICFOIQN-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

4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
Adenosine receptor antagonist 3
CID 146268692
2-Pyrazolo[1,5-a]pyrimidin-3-yl-1,3-benzothiazole
CID 156010635
2-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-1,3-thiazole
CID 91245989
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
3-(4-Fluorophenyl)-6-(2-thienyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1474449
1-(4-fluorophenyl)-4-((pyridin-3-ylmethyl)thio)-1H-pyrazolo[3,4-d]pyrimidine
CID 7162108
3-((Pyridin-3-ylmethyl)thio)-6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 16194785
4-Benzylsulfanyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
CID 864620
2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
3-[(2-Fluorophenyl)methyl]-7-(1,3-thiazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9858577

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015509) is 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2nccs2)c2cnn(Cc3ccccc3F)c2n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is QHLHZLPICFOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6S/c16-11-4-2-1-3-9(11)8-22-13-10(7-19-22)12(20-15(17)21-13)14-18-5-6-23-14/h1-7H,8H2,(H2,17,20,21).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-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 1-[(2-fluorophenyl)methyl]-4-(1,3-thiazol-2-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).