N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide

C16H11FN6O2 — CID 17017448

IUPACN'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H11FN6O2/c17-10-3-5-11(6-4-10)23-15-12(8-20-23)14(18-9-19-15)21-22-16(24)13-2-1-7-25-13/h1-9H,(H,22,24)(H,18,19,21)
InChIKeyKKRVJCLYDBQEGL-UHFFFAOYSA-N
MW338.30 g/mol
LogP2.30
Rot. Bonds4

About N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide

N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide (PubChem CID 17017448) has the molecular formula C16H11FN6O2 and a molecular weight of 338.30 g/mol. Its IUPAC name is N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide
PubChem CID17017448
Molecular FormulaC16H11FN6O2
Molecular Weight338.30 g/mol
Exact Mass338.09
IUPAC NameN'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide
SMILESO=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccco1
InChIInChI=1S/C16H11FN6O2/c17-10-3-5-11(6-4-10)23-15-12(8-20-23)14(18-9-19-15)21-22-16(24)13-2-1-7-25-13/h1-9H,(H,22,24)(H,18,19,21)
InChIKeyKKRVJCLYDBQEGL-UHFFFAOYSA-N
XLogP2.30
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide (CID 17017448) is N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide is O=C(NNc1ncnc2c1cnn2-c1ccc(F)cc1)c1ccco1.
What is the InChIKey of N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide?
The InChIKey is KKRVJCLYDBQEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6O2/c17-10-3-5-11(6-4-10)23-15-12(8-20-23)14(18-9-19-15)21-22-16(24)13-2-1-7-25-13/h1-9H,(H,22,24)(H,18,19,21).
What are the key properties of N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide?
N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide has a molecular weight of 338.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]furan-2-carbohydrazide is sourced from PubChem (CID 17017448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).