4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid

C19H20N4O3 — CID 70708436

IUPAC4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1cccc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1
InChIInChI=1S/C19H20N4O3/c1-14-4-2-6-17(20-14)22-11-8-19(9-12-22,18(24)25)23-10-7-15(21-23)16-5-3-13-26-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,24,25)
InChIKeyISSJCNDZBNHMPC-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.93
Rot. Bonds4

About 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid

4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 70708436) 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-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID70708436
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCc1cccc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1
InChIInChI=1S/C19H20N4O3/c1-14-4-2-6-17(20-14)22-11-8-19(9-12-22,18(24)25)23-10-7-15(21-23)16-5-3-13-26-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,24,25)
InChIKeyISSJCNDZBNHMPC-UHFFFAOYSA-N
XLogP2.93
TPSA84.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.93
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-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid (CID 70708436) is 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid is Cc1cccc(N2CCC(C(=O)O)(n3ccc(-c4ccco4)n3)CC2)n1.
What is the InChIKey of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is ISSJCNDZBNHMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-14-4-2-6-17(20-14)22-11-8-19(9-12-22,18(24)25)23-10-7-15(21-23)16-5-3-13-26-16/h2-7,10,13H,8-9,11-12H2,1H3,(H,24,25).
What are the key properties of 4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid?
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 2.93, 4 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-(6-methyl-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70708436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).