3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine

C10H13ClF2N4O — CID 167974869

IUPAC3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine
SMILESCO[C@H]1CN(c2cnc(N)c(Cl)n2)CC(F)(F)C1
InChIInChI=1S/C10H13ClF2N4O/c1-18-6-2-10(12,13)5-17(4-6)7-3-15-9(14)8(11)16-7/h3,6H,2,4-5H2,1H3,(H2,14,15)/t6-/m1/s1
InChIKeyANJDUDDXNXJZNE-ZCFIWIBFSA-N
MW278.69 g/mol
LogP1.57
Rot. Bonds2

About 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine

3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine (PubChem CID 167974869) has the molecular formula C10H13ClF2N4O and a molecular weight of 278.69 g/mol. Its IUPAC name is 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine
PubChem CID167974869
Molecular FormulaC10H13ClF2N4O
Molecular Weight278.69 g/mol
Exact Mass278.07
IUPAC Name3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine
SMILESCO[C@H]1CN(c2cnc(N)c(Cl)n2)CC(F)(F)C1
InChIInChI=1S/C10H13ClF2N4O/c1-18-6-2-10(12,13)5-17(4-6)7-3-15-9(14)8(11)16-7/h3,6H,2,4-5H2,1H3,(H2,14,15)/t6-/m1/s1
InChIKeyANJDUDDXNXJZNE-ZCFIWIBFSA-N
XLogP1.57
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine (CID 167974869) is 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine is CO[C@H]1CN(c2cnc(N)c(Cl)n2)CC(F)(F)C1.
What is the InChIKey of 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine?
The InChIKey is ANJDUDDXNXJZNE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13ClF2N4O/c1-18-6-2-10(12,13)5-17(4-6)7-3-15-9(14)8(11)16-7/h3,6H,2,4-5H2,1H3,(H2,14,15)/t6-/m1/s1.
What are the key properties of 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine?
3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine has a molecular weight of 278.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(5R)-3,3-difluoro-5-methoxypiperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 167974869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).