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

C22H27F3N4O4 — CID 139375381

IUPAC6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncc2c(=O)n(CC3(O)CCN(C(=O)CCC(F)(F)F)CC34CCCC4)ccc2n1
InChIInChI=1S/C22H27F3N4O4/c1-33-19-26-12-15-16(27-19)5-10-29(18(15)31)14-21(32)9-11-28(13-20(21)6-2-3-7-20)17(30)4-8-22(23,24)25/h5,10,12,32H,2-4,6-9,11,13-14H2,1H3
InChIKeyVVTGZIJTDXRSJC-UHFFFAOYSA-N
MW468.48 g/mol
LogP2.67
Rot. Bonds5

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

6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-one (PubChem CID 139375381) has the molecular formula C22H27F3N4O4 and a molecular weight of 468.48 g/mol. Its IUPAC name is 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[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-methoxypyrido[4,3-d]pyrimidin-5-one
PubChem CID139375381
Molecular FormulaC22H27F3N4O4
Molecular Weight468.48 g/mol
Exact Mass468.20
IUPAC Name6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-one
SMILESCOc1ncc2c(=O)n(CC3(O)CCN(C(=O)CCC(F)(F)F)CC34CCCC4)ccc2n1
InChIInChI=1S/C22H27F3N4O4/c1-33-19-26-12-15-16(27-19)5-10-29(18(15)31)14-21(32)9-11-28(13-20(21)6-2-3-7-20)17(30)4-8-22(23,24)25/h5,10,12,32H,2-4,6-9,11,13-14H2,1H3
InChIKeyVVTGZIJTDXRSJC-UHFFFAOYSA-N
XLogP2.67
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
6-[[10-Hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-piperazin-1-ylpyrido[4,3-d]pyrimidin-5-one
CID 139375385

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-methoxypyrido[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-methoxypyrido[4,3-d]pyrimidin-5-one (CID 139375381) is 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[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-methoxypyrido[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-methoxypyrido[4,3-d]pyrimidin-5-one is COc1ncc2c(=O)n(CC3(O)CCN(C(=O)CCC(F)(F)F)CC34CCCC4)ccc2n1.
What is the InChIKey of 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-one?
The InChIKey is VVTGZIJTDXRSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N4O4/c1-33-19-26-12-15-16(27-19)5-10-29(18(15)31)14-21(32)9-11-28(13-20(21)6-2-3-7-20)17(30)4-8-22(23,24)25/h5,10,12,32H,2-4,6-9,11,13-14H2,1H3.
What are the key properties of 6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-one?
6-[[10-hydroxy-7-(4,4,4-trifluorobutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-2-methoxypyrido[4,3-d]pyrimidin-5-one has a molecular weight of 468.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-methoxypyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139375381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).