5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine

C19H17F2N7O — CID 152782138

IUPAC5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(-c2c(F)cnn2C)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C19H17F2N7O/c1-11(14-8-13(20)3-4-16(14)28-24-5-6-25-28)29-17-7-12(9-23-19(17)22)18-15(21)10-26-27(18)2/h3-11H,1-2H3,(H2,22,23)/t11-/m1/s1
InChIKeySQLPEDVWEMHKKE-LLVKDONJSA-N
MW397.39 g/mol
LogP3.06
Rot. Bonds5

About 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine

5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine (PubChem CID 152782138) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine
PubChem CID152782138
Molecular FormulaC19H17F2N7O
Molecular Weight397.39 g/mol
Exact Mass397.15
IUPAC Name5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine
SMILESC[C@@H](Oc1cc(-c2c(F)cnn2C)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C19H17F2N7O/c1-11(14-8-13(20)3-4-16(14)28-24-5-6-25-28)29-17-7-12(9-23-19(17)22)18-15(21)10-26-27(18)2/h3-11H,1-2H3,(H2,22,23)/t11-/m1/s1
InChIKeySQLPEDVWEMHKKE-LLVKDONJSA-N
XLogP3.06
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine (CID 152782138) is 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine is C[C@@H](Oc1cc(-c2c(F)cnn2C)cnc1N)c1cc(F)ccc1-n1nccn1.
What is the InChIKey of 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
The InChIKey is SQLPEDVWEMHKKE-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17F2N7O/c1-11(14-8-13(20)3-4-16(14)28-24-5-6-25-28)29-17-7-12(9-23-19(17)22)18-15(21)10-26-27(18)2/h3-11H,1-2H3,(H2,22,23)/t11-/m1/s1.
What are the key properties of 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine has a molecular weight of 397.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-1-methylpyrazol-5-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 152782138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).