4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine

C28H39F2N5O2 — CID 144840568

IUPAC4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine
SMILESCC.CN.Cc1cc(F)cc(CNC(=O)c2ccc(-c3nccnc3N)cc2F)c1.OC1CCCCC1
InChIInChI=1S/C19H16F2N4O.C6H12O.C2H6.CH5N/c1-11-6-12(8-14(20)7-11)10-25-19(26)15-3-2-13(9-16(15)21)17-18(22)24-5-4-23-17;7-6-4-2-1-3-5-6;2*1-2/h2-9H,10H2,1H3,(H2,22,24)(H,25,26);6-7H,1-5H2;1-2H3;2H2,1H3
InChIKeyCWKSZVJLLDOMKV-UHFFFAOYSA-N
MW515.65 g/mol
LogP5.15
Rot. Bonds4

About 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine

4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine (PubChem CID 144840568) has the molecular formula C28H39F2N5O2 and a molecular weight of 515.65 g/mol. Its IUPAC name is 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine.

Molecular Properties

Compound Name4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine
PubChem CID144840568
Molecular FormulaC28H39F2N5O2
Molecular Weight515.65 g/mol
Exact Mass515.31
IUPAC Name4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine
SMILESCC.CN.Cc1cc(F)cc(CNC(=O)c2ccc(-c3nccnc3N)cc2F)c1.OC1CCCCC1
InChIInChI=1S/C19H16F2N4O.C6H12O.C2H6.CH5N/c1-11-6-12(8-14(20)7-11)10-25-19(26)15-3-2-13(9-16(15)21)17-18(22)24-5-4-23-17;7-6-4-2-1-3-5-6;2*1-2/h2-9H,10H2,1H3,(H2,22,24)(H,25,26);6-7H,1-5H2;1-2H3;2H2,1H3
InChIKeyCWKSZVJLLDOMKV-UHFFFAOYSA-N
XLogP5.15
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.65
LogP ≤ 55.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine 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-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine?
The IUPAC name of 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine (CID 144840568) is 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine.
What is the SMILES notation for 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine?
The canonical SMILES for 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine is CC.CN.Cc1cc(F)cc(CNC(=O)c2ccc(-c3nccnc3N)cc2F)c1.OC1CCCCC1.
What is the InChIKey of 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine?
The InChIKey is CWKSZVJLLDOMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O.C6H12O.C2H6.CH5N/c1-11-6-12(8-14(20)7-11)10-25-19(26)15-3-2-13(9-16(15)21)17-18(22)24-5-4-23-17;7-6-4-2-1-3-5-6;2*1-2/h2-9H,10H2,1H3,(H2,22,24)(H,25,26);6-7H,1-5H2;1-2H3;2H2,1H3.
What are the key properties of 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine?
4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine has a molecular weight of 515.65 g/mol, XLogP of 5.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazin-2-yl)-2-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]benzamide;cyclohexanol;ethane;methanamine is sourced from PubChem (CID 144840568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).