1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid

C18H19F3N4O2 — CID 168974951

IUPAC1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(CCC(F)(F)F)cnc2-c2ccncc2)CC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)6-1-14-11-23-15(12-2-7-22-8-3-12)16(24-14)25-9-4-13(5-10-25)17(26)27/h2-3,7-8,11,13H,1,4-6,9-10H2,(H,26,27)
InChIKeyVOPLVZCQPOFZFN-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.33
Rot. Bonds5

About 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid

1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid (PubChem CID 168974951) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
PubChem CID168974951
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2nc(CCC(F)(F)F)cnc2-c2ccncc2)CC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)6-1-14-11-23-15(12-2-7-22-8-3-12)16(24-14)25-9-4-13(5-10-25)17(26)27/h2-3,7-8,11,13H,1,4-6,9-10H2,(H,26,27)
InChIKeyVOPLVZCQPOFZFN-UHFFFAOYSA-N
XLogP3.33
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid (CID 168974951) is 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2nc(CCC(F)(F)F)cnc2-c2ccncc2)CC1.
What is the InChIKey of 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
The InChIKey is VOPLVZCQPOFZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)6-1-14-11-23-15(12-2-7-22-8-3-12)16(24-14)25-9-4-13(5-10-25)17(26)27/h2-3,7-8,11,13H,1,4-6,9-10H2,(H,26,27).
What are the key properties of 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid?
1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid has a molecular weight of 380.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-pyridin-4-yl-6-(3,3,3-trifluoropropyl)pyrazin-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 168974951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).