4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

C24H25FN4O3 — CID 118045839

IUPAC4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESNc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC[C@@H](O)c2ccccc2)c(F)c1
InChIInChI=1S/C24H25FN4O3/c25-19-12-17(22-23(26)27-13-20(29-22)15-8-10-32-11-9-15)6-7-18(19)24(31)28-14-21(30)16-4-2-1-3-5-16/h1-7,12-13,15,21,30H,8-11,14H2,(H2,26,27)(H,28,31)/t21-/m1/s1
InChIKeyKWNSAAJBUJONRS-OAQYLSRUSA-N
MW436.49 g/mol
LogP3.22
Rot. Bonds6

About 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide

4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (PubChem CID 118045839) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
PubChem CID118045839
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
SMILESNc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC[C@@H](O)c2ccccc2)c(F)c1
InChIInChI=1S/C24H25FN4O3/c25-19-12-17(22-23(26)27-13-20(29-22)15-8-10-32-11-9-15)6-7-18(19)24(31)28-14-21(30)16-4-2-1-3-5-16/h1-7,12-13,15,21,30H,8-11,14H2,(H2,26,27)(H,28,31)/t21-/m1/s1
InChIKeyKWNSAAJBUJONRS-OAQYLSRUSA-N
XLogP3.22
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide (CID 118045839) is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide.
What is the SMILES notation for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The canonical SMILES for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC[C@@H](O)c2ccccc2)c(F)c1.
What is the InChIKey of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
The InChIKey is KWNSAAJBUJONRS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25FN4O3/c25-19-12-17(22-23(26)27-13-20(29-22)15-8-10-32-11-9-15)6-7-18(19)24(31)28-14-21(30)16-4-2-1-3-5-16/h1-7,12-13,15,21,30H,8-11,14H2,(H2,26,27)(H,28,31)/t21-/m1/s1.
What are the key properties of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide?
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide has a molecular weight of 436.49 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide is sourced from PubChem (CID 118045839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).