[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid

C21H24F3N5O4 — CID 118742918

IUPAC[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5O2.C2HF3O2/c1-26-17-11-16(21-14-22-17)24-10-6-19(13-24)4-8-23(9-5-19)18(25)15-3-2-7-20-12-15;3-2(4,5)1(6)7/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3;(H,6,7)
InChIKeyVGDRNIHLYDBWDD-UHFFFAOYSA-N
MW467.45 g/mol
LogP2.65
Rot. Bonds3

About [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid

[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742918) has the molecular formula C21H24F3N5O4 and a molecular weight of 467.45 g/mol. Its IUPAC name is [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID118742918
Molecular FormulaC21H24F3N5O4
Molecular Weight467.45 g/mol
Exact Mass467.18
IUPAC Name[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCOc1cc(N2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5O2.C2HF3O2/c1-26-17-11-16(21-14-22-17)24-10-6-19(13-24)4-8-23(9-5-19)18(25)15-3-2-7-20-12-15;3-2(4,5)1(6)7/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3;(H,6,7)
InChIKeyVGDRNIHLYDBWDD-UHFFFAOYSA-N
XLogP2.65
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;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

US11377438, Example 143
CID 146525801
US11377438, Example 2
CID 146526012
[4-(4-Ethoxypyrimidin-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 53591983
[2-(6-Methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97449621
[(3aR,6aS)-2-(6-methoxypyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-3-ylmethanone
CID 97457864
7-(6-Methoxypyrimidin-4-yl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118740767
[2-(6-Methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 118742924
9-(6-Methoxypyrimidin-4-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118744751
4-(6-{[1-(Pyridine-3-carbonyl)pyrrolidin-3-YL]oxy}pyrimidin-4-YL)morpholine
CID 53185891
N-(6-methoxypyrimidin-4-yl)nicotinamide
CID 71795717
4-(Piperidin-1-YL)-6-{[1-(pyridine-3-carbonyl)pyrrolidin-3-YL]oxy}pyrimidine
CID 71836800
[2-(6-Methoxypyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742923

Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid (CID 118742918) is [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid is COc1cc(N2CCC3(CCN(C(=O)c4cccnc4)CC3)C2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is VGDRNIHLYDBWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.C2HF3O2/c1-26-17-11-16(21-14-22-17)24-10-6-19(13-24)4-8-23(9-5-19)18(25)15-3-2-7-20-12-15;3-2(4,5)1(6)7/h2-3,7,11-12,14H,4-6,8-10,13H2,1H3;(H,6,7).
What are the key properties of [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid?
[2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 467.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxypyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).