2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C22H22F4N4O4 — CID 171682222

IUPAC2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CC1CC2(C1)CN(C(=O)c1cnc(OCF)cn1)C2)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C22H22F4N4O4/c23-13-34-19-9-27-17(8-28-19)20(32)30-10-21(11-30)6-14(7-21)5-18(31)29-15-1-3-16(4-2-15)33-12-22(24,25)26/h1-4,8-9,14H,5-7,10-13H2,(H,29,31)
InChIKeyMDQNTIBGBXTROF-UHFFFAOYSA-N
MW482.43 g/mol
LogP3.60
Rot. Bonds8

About 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 171682222) has the molecular formula C22H22F4N4O4 and a molecular weight of 482.43 g/mol. Its IUPAC name is 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID171682222
Molecular FormulaC22H22F4N4O4
Molecular Weight482.43 g/mol
Exact Mass482.16
IUPAC Name2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(CC1CC2(C1)CN(C(=O)c1cnc(OCF)cn1)C2)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C22H22F4N4O4/c23-13-34-19-9-27-17(8-28-19)20(32)30-10-21(11-30)6-14(7-21)5-18(31)29-15-1-3-16(4-2-15)33-12-22(24,25)26/h1-4,8-9,14H,5-7,10-13H2,(H,29,31)
InChIKeyMDQNTIBGBXTROF-UHFFFAOYSA-N
XLogP3.60
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 171682222) is 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(CC1CC2(C1)CN(C(=O)c1cnc(OCF)cn1)C2)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is MDQNTIBGBXTROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O4/c23-13-34-19-9-27-17(8-28-19)20(32)30-10-21(11-30)6-14(7-21)5-18(31)29-15-1-3-16(4-2-15)33-12-22(24,25)26/h1-4,8-9,14H,5-7,10-13H2,(H,29,31).
What are the key properties of 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 482.43 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(fluoromethoxy)pyrazine-2-carbonyl]-2-azaspiro[3.3]heptan-6-yl]-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 171682222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).