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

C19H18FN7O — CID 67467673

IUPAC3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESC[C@@H](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)/t12-/m1/s1
InChIKeyXASLBBRDSFWNTD-GFCCVEGCSA-N
MW379.40 g/mol
LogP2.92
Rot. Bonds5

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

3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 67467673) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID67467673
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESC[C@@H](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)/t12-/m1/s1
InChIKeyXASLBBRDSFWNTD-GFCCVEGCSA-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-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine (CID 67467673) is 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine is C[C@@H](Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1.
What is the InChIKey of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is XASLBBRDSFWNTD-GFCCVEGCSA-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)/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
3-[(1R)-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-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 67467673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).