6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine

C20H17FN6O — CID 56602198

IUPAC6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(-c2cnco2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN6O/c1-13(14-2-4-16(21)5-3-14)25-18-8-15(17-10-23-12-28-17)9-19(26-18)27-20-11-22-6-7-24-20/h2-13H,1H3,(H2,24,25,26,27)/t13-/m0/s1
InChIKeyXYXFEAIQCJYWPF-ZDUSSCGKSA-N
MW376.40 g/mol
LogP4.58
Rot. Bonds6

About 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine

6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine (PubChem CID 56602198) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
PubChem CID56602198
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine
SMILESC[C@H](Nc1cc(-c2cnco2)cc(Nc2cnccn2)n1)c1ccc(F)cc1
InChIInChI=1S/C20H17FN6O/c1-13(14-2-4-16(21)5-3-14)25-18-8-15(17-10-23-12-28-17)9-19(26-18)27-20-11-22-6-7-24-20/h2-13H,1H3,(H2,24,25,26,27)/t13-/m0/s1
InChIKeyXYXFEAIQCJYWPF-ZDUSSCGKSA-N
XLogP4.58
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine (CID 56602198) is 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine is C[C@H](Nc1cc(-c2cnco2)cc(Nc2cnccn2)n1)c1ccc(F)cc1.
What is the InChIKey of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
The InChIKey is XYXFEAIQCJYWPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-13(14-2-4-16(21)5-3-14)25-18-8-15(17-10-23-12-28-17)9-19(26-18)27-20-11-22-6-7-24-20/h2-13H,1H3,(H2,24,25,26,27)/t13-/m0/s1.
What are the key properties of 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine?
6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine has a molecular weight of 376.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(1,3-oxazol-5-yl)-2-N-pyrazin-2-ylpyridine-2,6-diamine is sourced from PubChem (CID 56602198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).