1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine

C15H12FN7 — CID 22015484

IUPAC1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccn[nH]2)c2cnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C15H12FN7/c16-11-4-2-1-3-9(11)8-23-14-10(7-19-23)13(20-15(17)21-14)12-5-6-18-22-12/h1-7H,8H2,(H,18,22)(H2,17,20,21)
InChIKeyVCYLLZQKLGQTQI-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.99
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine

1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 22015484) has the molecular formula C15H12FN7 and a molecular weight of 309.31 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID22015484
Molecular FormulaC15H12FN7
Molecular Weight309.31 g/mol
Exact Mass309.11
IUPAC Name1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(-c2ccn[nH]2)c2cnn(Cc3ccccc3F)c2n1
InChIInChI=1S/C15H12FN7/c16-11-4-2-1-3-9(11)8-23-14-10(7-19-23)13(20-15(17)21-14)12-5-6-18-22-12/h1-7H,8H2,(H,18,22)(H2,17,20,21)
InChIKeyVCYLLZQKLGQTQI-UHFFFAOYSA-N
XLogP1.99
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine (CID 22015484) is 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(-c2ccn[nH]2)c2cnn(Cc3ccccc3F)c2n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is VCYLLZQKLGQTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN7/c16-11-4-2-1-3-9(11)8-23-14-10(7-19-23)13(20-15(17)21-14)12-5-6-18-22-12/h1-7H,8H2,(H,18,22)(H2,17,20,21).
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine?
1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 309.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 22015484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).