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

C18H24N4O2S — CID 139370266

IUPAC6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(CC3(O)CCNCC34CCCC4)ccc2n1
InChIInChI=1S/C18H24N4O2S/c1-25-16-20-10-13-14(21-16)4-9-22(15(13)23)12-18(24)7-8-19-11-17(18)5-2-3-6-17/h4,9-10,19,24H,2-3,5-8,11-12H2,1H3
InChIKeyJABQRWGPHLEETG-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.80
Rot. Bonds3

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

6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (PubChem CID 139370266) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
PubChem CID139370266
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one
SMILESCSc1ncc2c(=O)n(CC3(O)CCNCC34CCCC4)ccc2n1
InChIInChI=1S/C18H24N4O2S/c1-25-16-20-10-13-14(21-16)4-9-22(15(13)23)12-18(24)7-8-19-11-17(18)5-2-3-6-17/h4,9-10,19,24H,2-3,5-8,11-12H2,1H3
InChIKeyJABQRWGPHLEETG-UHFFFAOYSA-N
XLogP1.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11807646, Example 184
CID 139370598
US11807646, Example 158
CID 139372631
US11807646, Example 63
CID 139375394
US11807646, Example 60
CID 139375523
US11807646, Example 58
CID 139375545
US11807646, Example 56
CID 139375558
US11807646, Example 62
CID 139375575
US11807646, Example 61
CID 139375805
US11807646, Example 55
CID 139375807
US11807646, Example 57
CID 139375817
US11807646, Example 59
CID 139375395
US11807646, Example 159
CID 139375811

Frequently Asked Questions

What is the IUPAC name of 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one (CID 139370266) is 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is CSc1ncc2c(=O)n(CC3(O)CCNCC34CCCC4)ccc2n1.
What is the InChIKey of 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
The InChIKey is JABQRWGPHLEETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-25-16-20-10-13-14(21-16)4-9-22(15(13)23)12-18(24)7-8-19-11-17(18)5-2-3-6-17/h4,9-10,19,24H,2-3,5-8,11-12H2,1H3.
What are the key properties of 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one?
6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one has a molecular weight of 360.48 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-2-methylsulfanylpyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139370266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).