6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one

C25H32F3N5O4 — CID 139375524

IUPAC6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=C(CCC(F)(F)F)N1CCC(O)(Cn2ccc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C25H32F3N5O4/c26-25(27,28)7-3-20(34)32-10-8-24(36,23(16-32)5-1-2-6-23)17-33-9-4-19-18(21(33)35)15-29-22(30-19)31-11-13-37-14-12-31/h4,9,15,36H,1-3,5-8,10-14,16-17H2
InChIKeyBARNDZBJGKGDGN-UHFFFAOYSA-N
MW523.56 g/mol
LogP2.49
Rot. Bonds5

About 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one

6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 139375524) has the molecular formula C25H32F3N5O4 and a molecular weight of 523.56 g/mol. Its IUPAC name is 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
PubChem CID139375524
Molecular FormulaC25H32F3N5O4
Molecular Weight523.56 g/mol
Exact Mass523.24
IUPAC Name6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one
SMILESO=C(CCC(F)(F)F)N1CCC(O)(Cn2ccc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1
InChIInChI=1S/C25H32F3N5O4/c26-25(27,28)7-3-20(34)32-10-8-24(36,23(16-32)5-1-2-6-23)17-33-9-4-19-18(21(33)35)15-29-22(30-19)31-11-13-37-14-12-31/h4,9,15,36H,1-3,5-8,10-14,16-17H2
InChIKeyBARNDZBJGKGDGN-UHFFFAOYSA-N
XLogP2.49
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.56
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

2-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-(trifluoromethyl)isoquinolin-1-one
CID 167255660
7-chloro-3-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 167256111
2-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-2,7-naphthyridin-1-one
CID 139369965
6-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]pyrido[4,3-d]pyrimidin-5-one
CID 139375812
6,7-difluoro-3-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 139370355
10-hydroxy-10-[(2-methylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylic acid
CID 139369985
N-(2-morpholin-4-yl-5-oxopyrido[4,3-d]pyrimidin-6-yl)acetamide
CID 17198708
2-[[10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-7-methoxyisoquinolin-1-one
CID 139370369
tert-butyl 10-hydroxy-10-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 150259503
5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 154926892
6-chloro-3-[[10-hydroxy-7-(3-phenylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 157339146
1-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347106

Frequently Asked Questions

What is the IUPAC name of 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one (CID 139375524) is 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one is O=C(CCC(F)(F)F)N1CCC(O)(Cn2ccc3nc(N4CCOCC4)ncc3c2=O)C2(CCCC2)C1.
What is the InChIKey of 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is BARNDZBJGKGDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O4/c26-25(27,28)7-3-20(34)32-10-8-24(36,23(16-32)5-1-2-6-23)17-33-9-4-19-18(21(33)35)15-29-22(30-19)31-11-13-37-14-12-31/h4,9,15,36H,1-3,5-8,10-14,16-17H2.
What are the key properties of 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one?
6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 523.56 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-morpholin-4-ylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139375524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).