4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid

C19H20N4O3 — CID 56904754

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H20N4O3/c24-18(25)19(23-9-5-16(21-23)17-4-2-12-26-17)6-10-22(11-7-19)14-15-3-1-8-20-13-15/h1-5,8-9,12-13H,6-7,10-11,14H2,(H,24,25)
InChIKeyZUVMGBGFHWCAIG-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.61
Rot. Bonds5

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

4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 56904754) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid
PubChem CID56904754
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2cccnc2)CC1
InChIInChI=1S/C19H20N4O3/c24-18(25)19(23-9-5-16(21-23)17-4-2-12-26-17)6-10-22(11-7-19)14-15-3-1-8-20-13-15/h1-5,8-9,12-13H,6-7,10-11,14H2,(H,24,25)
InChIKeyZUVMGBGFHWCAIG-UHFFFAOYSA-N
XLogP2.61
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid (CID 56904754) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2cccnc2)CC1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is ZUVMGBGFHWCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(25)19(23-9-5-16(21-23)17-4-2-12-26-17)6-10-22(11-7-19)14-15-3-1-8-20-13-15/h1-5,8-9,12-13H,6-7,10-11,14H2,(H,24,25).
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56904754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).