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

C19H20N4O3 — CID 56903304

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H20N4O3/c24-18(25)19(23-10-6-16(21-23)17-5-3-13-26-17)7-11-22(12-8-19)14-15-4-1-2-9-20-15/h1-6,9-10,13H,7-8,11-12,14H2,(H,24,25)
InChIKeyADHCKSQHXAOVSI-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.61
Rot. Bonds5

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

4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 56903304) 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-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID56903304
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C19H20N4O3/c24-18(25)19(23-10-6-16(21-23)17-5-3-13-26-17)7-11-22(12-8-19)14-15-4-1-2-9-20-15/h1-6,9-10,13H,7-8,11-12,14H2,(H,24,25)
InChIKeyADHCKSQHXAOVSI-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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid (CID 56903304) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1(n2ccc(-c3ccco3)n2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is ADHCKSQHXAOVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(25)19(23-10-6-16(21-23)17-5-3-13-26-17)7-11-22(12-8-19)14-15-4-1-2-9-20-15/h1-6,9-10,13H,7-8,11-12,14H2,(H,24,25).
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(pyridin-2-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-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56903304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).