3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine

C20H19FN6O — CID 155294520

IUPAC3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCc1[nH]ncc1-c1cnc(N)c(O[C@@H](C)c2cc(F)ccc2-n2cccn2)c1
InChIInChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1
InChIKeyNLKNKFKEIUZQIO-ZDUSSCGKSA-N
MW378.41 g/mol
LogP3.83
Rot. Bonds5

About 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine

3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 155294520) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID155294520
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCc1[nH]ncc1-c1cnc(N)c(O[C@@H](C)c2cc(F)ccc2-n2cccn2)c1
InChIInChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1
InChIKeyNLKNKFKEIUZQIO-ZDUSSCGKSA-N
XLogP3.83
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine (CID 155294520) is 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine is Cc1[nH]ncc1-c1cnc(N)c(O[C@@H](C)c2cc(F)ccc2-n2cccn2)c1.
What is the InChIKey of 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is NLKNKFKEIUZQIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-12-17(11-24-26-12)14-8-19(20(22)23-10-14)28-13(2)16-9-15(21)4-5-18(16)27-7-3-6-25-27/h3-11,13H,1-2H3,(H2,22,23)(H,24,26)/t13-/m0/s1.
What are the key properties of 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 378.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-(5-fluoro-2-pyrazol-1-ylphenyl)ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 155294520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).