3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine

C22H24FN9O — CID 77426009

IUPAC3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine
SMILESCC(Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C22H24FN9O/c1-14(18-10-16(23)2-3-20(18)32-27-8-9-28-32)33-22-21(24)26-12-19(30-22)15-11-29-31(13-15)17-4-6-25-7-5-17/h2-3,8-14,17,25H,4-7H2,1H3,(H2,24,26)
InChIKeyHBNLXYDOPBXIAQ-UHFFFAOYSA-N
MW449.49 g/mol
LogP2.71
Rot. Bonds6

About 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine

3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 77426009) has the molecular formula C22H24FN9O and a molecular weight of 449.49 g/mol. Its IUPAC name is 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine
PubChem CID77426009
Molecular FormulaC22H24FN9O
Molecular Weight449.49 g/mol
Exact Mass449.21
IUPAC Name3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine
SMILESCC(Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C22H24FN9O/c1-14(18-10-16(23)2-3-20(18)32-27-8-9-28-32)33-22-21(24)26-12-19(30-22)15-11-29-31(13-15)17-4-6-25-7-5-17/h2-3,8-14,17,25H,4-7H2,1H3,(H2,24,26)
InChIKeyHBNLXYDOPBXIAQ-UHFFFAOYSA-N
XLogP2.71
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine (CID 77426009) is 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine is CC(Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1cc(F)ccc1-n1nccn1.
What is the InChIKey of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is HBNLXYDOPBXIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN9O/c1-14(18-10-16(23)2-3-20(18)32-27-8-9-28-32)33-22-21(24)26-12-19(30-22)15-11-29-31(13-15)17-4-6-25-7-5-17/h2-3,8-14,17,25H,4-7H2,1H3,(H2,24,26).
What are the key properties of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine?
3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 449.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 77426009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).