3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine

C19H18FN7O — CID 77297395

IUPAC3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C19H18FN7O/c1-12(15-10-14(20)3-4-17(15)27-24-7-8-25-27)28-18-9-13(11-22-19(18)21)16-5-6-23-26(16)2/h3-12H,1-2H3,(H2,21,22)
InChIKeyXASLBBRDSFWNTD-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.92
Rot. Bonds5

About 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine

3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 77297395) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID77297395
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C19H18FN7O/c1-12(15-10-14(20)3-4-17(15)27-24-7-8-25-27)28-18-9-13(11-22-19(18)21)16-5-6-23-26(16)2/h3-12H,1-2H3,(H2,21,22)
InChIKeyXASLBBRDSFWNTD-UHFFFAOYSA-N
XLogP2.92
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine (CID 77297395) is 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine is CC(Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1.
What is the InChIKey of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is XASLBBRDSFWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-12(15-10-14(20)3-4-17(15)27-24-7-8-25-27)28-18-9-13(11-22-19(18)21)16-5-6-23-26(16)2/h3-12H,1-2H3,(H2,21,22).
What are the key properties of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 379.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 77297395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).