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

C24H23F3N4O2 — CID 118054692

IUPAC4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide
SMILESNc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)F)c(F)c1
InChIInChI=1S/C24H23F3N4O2/c25-18-12-16(21-23(28)29-13-19(30-21)14-8-10-33-11-9-14)6-7-17(18)24(32)31-20(22(26)27)15-4-2-1-3-5-15/h1-7,12-14,20,22H,8-11H2,(H2,28,29)(H,31,32)
InChIKeyGVGWMLLMEXLVRY-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.50
Rot. Bonds6

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

4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide (PubChem CID 118054692) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide
PubChem CID118054692
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide
SMILESNc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)F)c(F)c1
InChIInChI=1S/C24H23F3N4O2/c25-18-12-16(21-23(28)29-13-19(30-21)14-8-10-33-11-9-14)6-7-17(18)24(32)31-20(22(26)27)15-4-2-1-3-5-15/h1-7,12-14,20,22H,8-11H2,(H2,28,29)(H,31,32)
InChIKeyGVGWMLLMEXLVRY-UHFFFAOYSA-N
XLogP4.50
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide?
The IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide (CID 118054692) is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide.
What is the SMILES notation for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide?
The canonical SMILES for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide is Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)NC(c2ccccc2)C(F)F)c(F)c1.
What is the InChIKey of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide?
The InChIKey is GVGWMLLMEXLVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c25-18-12-16(21-23(28)29-13-19(30-21)14-8-10-33-11-9-14)6-7-17(18)24(32)31-20(22(26)27)15-4-2-1-3-5-15/h1-7,12-14,20,22H,8-11H2,(H2,28,29)(H,31,32).
What are the key properties of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide?
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide has a molecular weight of 456.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-(2,2-difluoro-1-phenylethyl)-2-fluorobenzamide is sourced from PubChem (CID 118054692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).