1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid

C18H17FN4O3 — CID 70785506

IUPAC1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccc(-c3ccco3)n2)CCN(c2ccncc2F)CC1
InChIInChI=1S/C18H17FN4O3/c19-13-12-20-7-3-15(13)22-9-5-18(6-10-22,17(24)25)23-8-4-14(21-23)16-2-1-11-26-16/h1-4,7-8,11-12H,5-6,9-10H2,(H,24,25)
InChIKeyZQHDCOATLGFYKE-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid

1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid (PubChem CID 70785506) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid
PubChem CID70785506
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccc(-c3ccco3)n2)CCN(c2ccncc2F)CC1
InChIInChI=1S/C18H17FN4O3/c19-13-12-20-7-3-15(13)22-9-5-18(6-10-22,17(24)25)23-8-4-14(21-23)16-2-1-11-26-16/h1-4,7-8,11-12H,5-6,9-10H2,(H,24,25)
InChIKeyZQHDCOATLGFYKE-UHFFFAOYSA-N
XLogP2.76
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid (CID 70785506) is 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid is O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(c2ccncc2F)CC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid?
The InChIKey is ZQHDCOATLGFYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-13-12-20-7-3-15(13)22-9-5-18(6-10-22,17(24)25)23-8-4-14(21-23)16-2-1-11-26-16/h1-4,7-8,11-12H,5-6,9-10H2,(H,24,25).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid?
1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-4-[3-(furan-2-yl)pyrazol-1-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 70785506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).