2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)

C25H27F10N5O7 — CID 155832108

IUPAC2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCC(COCc2ccccn2)CC12CN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24FN5O.3C2HF3O2/c1-24-7-5-15(11-26-12-17-4-2-3-6-21-17)8-19(24)13-25(14-19)18-22-9-16(20)10-23-18;3*3-2(4,5)1(6)7/h2-4,6,9-10,15H,5,7-8,11-14H2,1H3;3*(H,6,7)
InChIKeyDAWMGRUKCFGODM-UHFFFAOYSA-N
MW699.50 g/mol
LogP4.03
Rot. Bonds5

About 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)

2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid) (PubChem CID 155832108) has the molecular formula C25H27F10N5O7 and a molecular weight of 699.50 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
PubChem CID155832108
Molecular FormulaC25H27F10N5O7
Molecular Weight699.50 g/mol
Exact Mass699.18
IUPAC Name2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
SMILESCN1CCC(COCc2ccccn2)CC12CN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H24FN5O.3C2HF3O2/c1-24-7-5-15(11-26-12-17-4-2-3-6-21-17)8-19(24)13-25(14-19)18-22-9-16(20)10-23-18;3*3-2(4,5)1(6)7/h2-4,6,9-10,15H,5,7-8,11-14H2,1H3;3*(H,6,7)
InChIKeyDAWMGRUKCFGODM-UHFFFAOYSA-N
XLogP4.03
TPSA166.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500699.50
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(methoxymethyl)-5-methyl-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 171693362
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 131669217
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 131671768
(8S)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2-(pyridin-2-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 124821477
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-3-ylmethanone
CID 131669215
5-methyl-2-propylsulfonyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane
CID 131671777
2-cyclopentyl-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155869286
(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-(pyridin-2-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155831595
2,2,2-trifluoroacetic acid;N,N,5-trimethyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane-2-carboxamide
CID 171692982
(3S,5S)-7-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 171696569
5-methyl-2-(pyridin-3-ylmethyl)-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tetrakis(2,2,2-trifluoroacetic acid)
CID 155842696
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155844574

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid) (CID 155832108) is 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid) is CN1CCC(COCc2ccccn2)CC12CN(c1ncc(F)cn1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is DAWMGRUKCFGODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O.3C2HF3O2/c1-24-7-5-15(11-26-12-17-4-2-3-6-21-17)8-19(24)13-25(14-19)18-22-9-16(20)10-23-18;3*3-2(4,5)1(6)7/h2-4,6,9-10,15H,5,7-8,11-14H2,1H3;3*(H,6,7).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)?
2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 699.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155832108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).