ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate

C19H22FN7O2 — CID 59646873

IUPACethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate
SMILESCCCc1c(NN)ncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F
InChIInChI=1S/C19H22FN7O2/c1-3-6-12-16(23-11-24-17(12)26-21)15(19(28)29-4-2)14-8-10-25-27(14)18-13(20)7-5-9-22-18/h5,7-11,15H,3-4,6,21H2,1-2H3,(H,23,24,26)
InChIKeyHZSPAGRPPOSDHY-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.13
Rot. Bonds8

About ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate

ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate (PubChem CID 59646873) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate
PubChem CID59646873
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC Nameethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate
SMILESCCCc1c(NN)ncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F
InChIInChI=1S/C19H22FN7O2/c1-3-6-12-16(23-11-24-17(12)26-21)15(19(28)29-4-2)14-8-10-25-27(14)18-13(20)7-5-9-22-18/h5,7-11,15H,3-4,6,21H2,1-2H3,(H,23,24,26)
InChIKeyHZSPAGRPPOSDHY-UHFFFAOYSA-N
XLogP2.13
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate?
The IUPAC name of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate (CID 59646873) is ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate?
The canonical SMILES for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate is CCCc1c(NN)ncnc1C(C(=O)OCC)c1ccnn1-c1ncccc1F.
What is the InChIKey of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate?
The InChIKey is HZSPAGRPPOSDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-3-6-12-16(23-11-24-17(12)26-21)15(19(28)29-4-2)14-8-10-25-27(14)18-13(20)7-5-9-22-18/h5,7-11,15H,3-4,6,21H2,1-2H3,(H,23,24,26).
What are the key properties of ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate?
ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate has a molecular weight of 399.43 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(6-hydrazinyl-5-propylpyrimidin-4-yl)acetate is sourced from PubChem (CID 59646873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).