1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine

C16H22FN5O — CID 75470973

IUPAC1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCOc1c(CN2CCN(c3ncccc3F)CC2)c(C)nn1C
InChIInChI=1S/C16H22FN5O/c1-12-13(16(23-3)20(2)19-12)11-21-7-9-22(10-8-21)15-14(17)5-4-6-18-15/h4-6H,7-11H2,1-3H3
InChIKeyDDUICXGNTNDRLX-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.59
Rot. Bonds4

About 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine

1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine (PubChem CID 75470973) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
PubChem CID75470973
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine
SMILESCOc1c(CN2CCN(c3ncccc3F)CC2)c(C)nn1C
InChIInChI=1S/C16H22FN5O/c1-12-13(16(23-3)20(2)19-12)11-21-7-9-22(10-8-21)15-14(17)5-4-6-18-15/h4-6H,7-11H2,1-3H3
InChIKeyDDUICXGNTNDRLX-UHFFFAOYSA-N
XLogP1.59
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine (CID 75470973) is 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine is COc1c(CN2CCN(c3ncccc3F)CC2)c(C)nn1C.
What is the InChIKey of 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
The InChIKey is DDUICXGNTNDRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-12-13(16(23-3)20(2)19-12)11-21-7-9-22(10-8-21)15-14(17)5-4-6-18-15/h4-6H,7-11H2,1-3H3.
What are the key properties of 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine?
1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine has a molecular weight of 319.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-pyridinyl)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 75470973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).