1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C19H19FN4O2 — CID 56887637

IUPAC1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(Cc2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C19H19FN4O2/c20-15-3-5-17-14(12-15)2-4-16(22-17)13-23-10-6-19(7-11-23,18(25)26)24-9-1-8-21-24/h1-5,8-9,12H,6-7,10-11,13H2,(H,25,26)
InChIKeyBXLWXDYEJGQMJP-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.65
Rot. Bonds4

About 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56887637) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56887637
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(Cc2ccc3cc(F)ccc3n2)CC1
InChIInChI=1S/C19H19FN4O2/c20-15-3-5-17-14(12-15)2-4-16(22-17)13-23-10-6-19(7-11-23,18(25)26)24-9-1-8-21-24/h1-5,8-9,12H,6-7,10-11,13H2,(H,25,26)
InChIKeyBXLWXDYEJGQMJP-UHFFFAOYSA-N
XLogP2.65
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56887637) is 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2cccn2)CCN(Cc2ccc3cc(F)ccc3n2)CC1.
What is the InChIKey of 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is BXLWXDYEJGQMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-15-3-5-17-14(12-15)2-4-16(22-17)13-23-10-6-19(7-11-23,18(25)26)24-9-1-8-21-24/h1-5,8-9,12H,6-7,10-11,13H2,(H,25,26).
What are the key properties of 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56887637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).