2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide

C31H31FN4O2 — CID 158585239

About 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide

2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide (PubChem CID 158585239) has the molecular formula C31H31FN4O2 and a molecular weight of 510.61 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide
• PubChem CID: 158585239
• Molecular Formula: C31H31FN4O2
• Molecular Weight: 510.61 g/mol
• Exact Mass: 510.24
• IUPAC Name: 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide
• SMILES: Cc1ccc(F)c(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4cccc(N5CCOCC5)c4)n3)c2)c1
• InChI: InChI=1S/C31H31FN4O2/c1-21-9-10-29(32)28(15-21)31(37)35-25-7-3-5-23(17-25)22(2)16-26-19-33-20-30(34-26)24-6-4-8-27(18-24)36-11-13-38-14-12-36/h3-10,15,17-20,22H,11-14,16H2,1-2H3,(H,35,37)/t22-/m1/s1
• InChIKey: HTTAZMNEZWOGGF-JOCHJYFZSA-N
• XLogP: 6.03
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.61
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide?

The IUPAC name of 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide (CID 158585239) is 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide.

What is the SMILES notation for 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide?

The canonical SMILES for 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide is Cc1ccc(F)c(C(=O)Nc2cccc([C@H](C)Cc3cncc(-c4cccc(N5CCOCC5)c4)n3)c2)c1.

What is the InChIKey of 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide?

The InChIKey is HTTAZMNEZWOGGF-JOCHJYFZSA-N. The full InChI is InChI=1S/C31H31FN4O2/c1-21-9-10-29(32)28(15-21)31(37)35-25-7-3-5-23(17-25)22(2)16-26-19-33-20-30(34-26)24-6-4-8-27(18-24)36-11-13-38-14-12-36/h3-10,15,17-20,22H,11-14,16H2,1-2H3,(H,35,37)/t22-/m1/s1.

What are the key properties of 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide?

2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide has a molecular weight of 510.61 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-methyl-N-[3-[(2R)-1-[6-(3-morpholin-4-ylphenyl)pyrazin-2-yl]propan-2-yl]phenyl]benzamide is sourced from PubChem (CID 158585239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).