N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

C23H18F4N4O — CID 45377350

About N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (PubChem CID 45377350) has the molecular formula C23H18F4N4O and a molecular weight of 442.42 g/mol. Its IUPAC name is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
• PubChem CID: 45377350
• Molecular Formula: C23H18F4N4O
• Molecular Weight: 442.42 g/mol
• Exact Mass: 442.14
• IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
• SMILES: O=C(c1nccnc1-c1ccccc1)N(CCc1c[nH]c2ccc(F)cc12)CC(F)(F)F
• InChI: InChI=1S/C23H18F4N4O/c24-17-6-7-19-18(12-17)16(13-30-19)8-11-31(14-23(25,26)27)22(32)21-20(28-9-10-29-21)15-4-2-1-3-5-15/h1-7,9-10,12-13,30H,8,11,14H2
• InChIKey: NMNNYEMKTOBRAL-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.42
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide (CID 45377350) is N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is O=C(c1nccnc1-c1ccccc1)N(CCc1c[nH]c2ccc(F)cc12)CC(F)(F)F.

What is the InChIKey of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

The InChIKey is NMNNYEMKTOBRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O/c24-17-6-7-19-18(12-17)16(13-30-19)8-11-31(14-23(25,26)27)22(32)21-20(28-9-10-29-21)15-4-2-1-3-5-15/h1-7,9-10,12-13,30H,8,11,14H2.

What are the key properties of N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide?

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide has a molecular weight of 442.42 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 45377350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).