3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine

C21H20ClFN4O — CID 143313116

IUPAC3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
SMILESCOC1CCCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C21H20ClFN4O/c1-28-16-3-2-10-27(13-16)19-12-25-20(14-4-6-15(23)7-5-14)21(26-19)17-8-9-24-11-18(17)22/h4-9,11-12,16H,2-3,10,13H2,1H3
InChIKeyDIMJEAYCFNVRJC-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.61
Rot. Bonds4

About 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine

3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine (PubChem CID 143313116) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
PubChem CID143313116
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
SMILESCOC1CCCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C21H20ClFN4O/c1-28-16-3-2-10-27(13-16)19-12-25-20(14-4-6-15(23)7-5-14)21(26-19)17-8-9-24-11-18(17)22/h4-9,11-12,16H,2-3,10,13H2,1H3
InChIKeyDIMJEAYCFNVRJC-UHFFFAOYSA-N
XLogP4.61
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine (CID 143313116) is 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine is COC1CCCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)C1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine?
The InChIKey is DIMJEAYCFNVRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c1-28-16-3-2-10-27(13-16)19-12-25-20(14-4-6-15(23)7-5-14)21(26-19)17-8-9-24-11-18(17)22/h4-9,11-12,16H,2-3,10,13H2,1H3.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine?
3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine has a molecular weight of 398.87 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine is sourced from PubChem (CID 143313116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).