N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide

C24H21F4N5O4 — CID 118385301

IUPACN-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2cnc(-c3cccc(F)c3)cn2)ccc1OC(F)(F)F
InChIInChI=1S/C24H21F4N5O4/c25-17-3-1-2-15(10-17)19-12-30-21(13-29-19)32-23(35)16-4-5-20(37-24(26,27)28)18(11-16)31-22(34)14-33-6-8-36-9-7-33/h1-5,10-13H,6-9,14H2,(H,31,34)(H,30,32,35)
InChIKeyCZILEUXVBGHUHI-UHFFFAOYSA-N
MW519.46 g/mol
LogP3.70
Rot. Bonds7

About N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide

N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide (PubChem CID 118385301) has the molecular formula C24H21F4N5O4 and a molecular weight of 519.46 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
PubChem CID118385301
Molecular FormulaC24H21F4N5O4
Molecular Weight519.46 g/mol
Exact Mass519.15
IUPAC NameN-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2cnc(-c3cccc(F)c3)cn2)ccc1OC(F)(F)F
InChIInChI=1S/C24H21F4N5O4/c25-17-3-1-2-15(10-17)19-12-30-21(13-29-19)32-23(35)16-4-5-20(37-24(26,27)28)18(11-16)31-22(34)14-33-6-8-36-9-7-33/h1-5,10-13H,6-9,14H2,(H,31,34)(H,30,32,35)
InChIKeyCZILEUXVBGHUHI-UHFFFAOYSA-N
XLogP3.70
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide (CID 118385301) is N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Nc2cnc(-c3cccc(F)c3)cn2)ccc1OC(F)(F)F.
What is the InChIKey of N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
The InChIKey is CZILEUXVBGHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N5O4/c25-17-3-1-2-15(10-17)19-12-30-21(13-29-19)32-23(35)16-4-5-20(37-24(26,27)28)18(11-16)31-22(34)14-33-6-8-36-9-7-33/h1-5,10-13H,6-9,14H2,(H,31,34)(H,30,32,35).
What are the key properties of N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide?
N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide has a molecular weight of 519.46 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 118385301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).