[5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C22H23F6N5O6 — CID 155866543

IUPAC[5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CC(COc2cccnc2)CC12CN(C(=O)c1cnccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5O2.2C2HF3O2/c1-22-10-14(11-25-15-3-2-4-19-8-15)7-18(22)12-23(13-18)17(24)16-9-20-5-6-21-16;2*3-2(4,5)1(6)7/h2-6,8-9,14H,7,10-13H2,1H3;2*(H,6,7)
InChIKeyNACLFGXECJKKCI-UHFFFAOYSA-N
MW567.44 g/mol
LogP2.36
Rot. Bonds4

About [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)

[5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155866543) has the molecular formula C22H23F6N5O6 and a molecular weight of 567.44 g/mol. Its IUPAC name is [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name[5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155866543
Molecular FormulaC22H23F6N5O6
Molecular Weight567.44 g/mol
Exact Mass567.16
IUPAC Name[5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCN1CC(COc2cccnc2)CC12CN(C(=O)c1cnccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H21N5O2.2C2HF3O2/c1-22-10-14(11-25-15-3-2-4-19-8-15)7-18(22)12-23(13-18)17(24)16-9-20-5-6-21-16;2*3-2(4,5)1(6)7/h2-6,8-9,14H,7,10-13H2,1H3;2*(H,6,7)
InChIKeyNACLFGXECJKKCI-UHFFFAOYSA-N
XLogP2.36
TPSA146.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyrazin-2-ylmethanone
CID 131671724
[(3aS,5R,7aS)-5-(pyridin-3-yloxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155853632
1-[7-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.4]octan-2-yl]-2-(2-methoxyphenoxy)ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155866499
[9-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155835644
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155836968
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155842696
pyrazin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155866227
[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 124790727
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155844574
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
2-cyclopropyl-1-[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155866399

Frequently Asked Questions

What is the IUPAC name of [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 155866543) is [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) is CN1CC(COc2cccnc2)CC12CN(C(=O)c1cnccn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is NACLFGXECJKKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2.2C2HF3O2/c1-22-10-14(11-25-15-3-2-4-19-8-15)7-18(22)12-23(13-18)17(24)16-9-20-5-6-21-16;2*3-2(4,5)1(6)7/h2-6,8-9,14H,7,10-13H2,1H3;2*(H,6,7).
What are the key properties of [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
[5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 567.44 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155866543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).