1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

C16H12FN5S — CID 22015493

IUPAC1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C16H12FN5S/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21)
InChIKeyBTNSODUMYOQWPY-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.32
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015493) has the molecular formula C16H12FN5S and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015493
Molecular FormulaC16H12FN5S
Molecular Weight325.37 g/mol
Exact Mass325.08
IUPAC Name1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C16H12FN5S/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21)
InChIKeyBTNSODUMYOQWPY-UHFFFAOYSA-N
XLogP3.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethyl-6-(2-thienyl)-4-(trifluoromethyl)-1H-pyrazolo(3,4-B)pyridine
CID 2164249
4-[3-(Thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329467
6-Cyclohexyl-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329472
Adenosine receptor antagonist 3
CID 146268692
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
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
3-[(2-Fluorophenyl)methyl]-7-(1,3-thiazol-5-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 9858577
3-(2-Fluorobenzyl)-7-(2-thiazolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 9858578

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (CID 22015493) is 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is BTNSODUMYOQWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5S/c17-12-5-2-1-4-10(12)9-22-15-11(8-19-22)14(20-16(18)21-15)13-6-3-7-23-13/h1-8H,9H2,(H2,18,20,21).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?
1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 325.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).