4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide

C24H26FN5O2 — CID 118046266

IUPAC4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide
SMILESNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1ccccc1
InChIInChI=1S/C24H26FN5O2/c25-19-12-17(22-23(27)28-14-21(29-22)16-8-10-32-11-9-16)6-7-18(19)24(31)30-20(13-26)15-4-2-1-3-5-15/h1-7,12,14,16,20H,8-11,13,26H2,(H2,27,28)(H,30,31)/t20-/m1/s1
InChIKeyZYUZJTDLWADKSL-HXUWFJFHSA-N
MW435.50 g/mol
LogP3.19
Rot. Bonds6

About 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide

4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide (PubChem CID 118046266) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide
PubChem CID118046266
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide
SMILESNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1ccccc1
InChIInChI=1S/C24H26FN5O2/c25-19-12-17(22-23(27)28-14-21(29-22)16-8-10-32-11-9-16)6-7-18(19)24(31)30-20(13-26)15-4-2-1-3-5-15/h1-7,12,14,16,20H,8-11,13,26H2,(H2,27,28)(H,30,31)/t20-/m1/s1
InChIKeyZYUZJTDLWADKSL-HXUWFJFHSA-N
XLogP3.19
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.19
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]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide?
The IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide (CID 118046266) is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide?
The canonical SMILES for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide is NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1ccccc1.
What is the InChIKey of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide?
The InChIKey is ZYUZJTDLWADKSL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26FN5O2/c25-19-12-17(22-23(27)28-14-21(29-22)16-8-10-32-11-9-16)6-7-18(19)24(31)30-20(13-26)15-4-2-1-3-5-15/h1-7,12,14,16,20H,8-11,13,26H2,(H2,27,28)(H,30,31)/t20-/m1/s1.
What are the key properties of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide?
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide has a molecular weight of 435.50 g/mol, XLogP of 3.19, 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]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide is sourced from PubChem (CID 118046266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).