3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one

C26H30N4O2 — CID 155754405

IUPAC3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)ncn1CC1(O)CCN(Cc2ccccn2)CC12CCCC2
InChIInChI=1S/C26H30N4O2/c31-24-16-23(21-8-2-1-3-9-21)28-20-30(24)19-26(32)13-15-29(17-22-10-4-7-14-27-22)18-25(26)11-5-6-12-25/h1-4,7-10,14,16,20,32H,5-6,11-13,15,17-19H2
InChIKeyPMURVXKJJZBESN-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.50
Rot. Bonds5

About 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one

3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one (PubChem CID 155754405) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
PubChem CID155754405
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
SMILESO=c1cc(-c2ccccc2)ncn1CC1(O)CCN(Cc2ccccn2)CC12CCCC2
InChIInChI=1S/C26H30N4O2/c31-24-16-23(21-8-2-1-3-9-21)28-20-30(24)19-26(32)13-15-29(17-22-10-4-7-14-27-22)18-25(26)11-5-6-12-25/h1-4,7-10,14,16,20,32H,5-6,11-13,15,17-19H2
InChIKeyPMURVXKJJZBESN-UHFFFAOYSA-N
XLogP3.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one with MolForge

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Related Compounds

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CID 139375475
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US11807646, Example 153
CID 139375645
US11807646, Example 19
CID 139375655
US11807646, Example 249
CID 146627515
US11807646, Example 274
CID 146671365
US11807646, Example 245
CID 155682806
US11807646, Example 23
CID 139369920
US11807646, Example 200
CID 139375444
US11807646, Example 246
CID 146627562
US11807646, Example 244
CID 155682840
US11807646, Example 197
CID 139375593

Frequently Asked Questions

What is the IUPAC name of 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The IUPAC name of 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one (CID 155754405) is 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one is O=c1cc(-c2ccccc2)ncn1CC1(O)CCN(Cc2ccccn2)CC12CCCC2.
What is the InChIKey of 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The InChIKey is PMURVXKJJZBESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-24-16-23(21-8-2-1-3-9-21)28-20-30(24)19-26(32)13-15-29(17-22-10-4-7-14-27-22)18-25(26)11-5-6-12-25/h1-4,7-10,14,16,20,32H,5-6,11-13,15,17-19H2.
What are the key properties of 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one has a molecular weight of 430.55 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[10-hydroxy-7-(pyridin-2-ylmethyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one is sourced from PubChem (CID 155754405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).