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

C24H31FN4O3 — CID 118045439

IUPAC4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide
SMILESNc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)C2CCCCC2)c(F)c1
InChIInChI=1S/C24H31FN4O3/c25-19-12-17(22-23(26)27-13-20(28-22)16-8-10-32-11-9-16)6-7-18(19)24(31)29-21(14-30)15-4-2-1-3-5-15/h6-7,12-13,15-16,21,30H,1-5,8-11,14H2,(H2,26,27)(H,29,31)/t21-/m1/s1
InChIKeyZTQACPHRAIAVQU-OAQYLSRUSA-N
MW442.54 g/mol
LogP3.43
Rot. Bonds6

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

4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 118045439) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID118045439
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC Name4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide
SMILESNc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)C2CCCCC2)c(F)c1
InChIInChI=1S/C24H31FN4O3/c25-19-12-17(22-23(26)27-13-20(28-22)16-8-10-32-11-9-16)6-7-18(19)24(31)29-21(14-30)15-4-2-1-3-5-15/h6-7,12-13,15-16,21,30H,1-5,8-11,14H2,(H2,26,27)(H,29,31)/t21-/m1/s1
InChIKeyZTQACPHRAIAVQU-OAQYLSRUSA-N
XLogP3.43
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide (CID 118045439) is 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide is Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)C2CCCCC2)c(F)c1.
What is the InChIKey of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is ZTQACPHRAIAVQU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31FN4O3/c25-19-12-17(22-23(26)27-13-20(28-22)16-8-10-32-11-9-16)6-7-18(19)24(31)29-21(14-30)15-4-2-1-3-5-15/h6-7,12-13,15-16,21,30H,1-5,8-11,14H2,(H2,26,27)(H,29,31)/t21-/m1/s1.
What are the key properties of 4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide?
4-[3-amino-6-(oxan-4-yl)pyrazin-2-yl]-N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 442.54 g/mol, XLogP of 3.43, 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)-1-cyclohexyl-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 118045439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).