3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one

C30H36N6O3 — CID 146671365

IUPAC3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
SMILESO=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1cccnc1
InChIInChI=1S/C30H36N6O3/c37-27-17-25(23-7-2-1-3-8-23)33-22-35(27)21-30(39)12-15-34(20-29(30)10-4-5-11-29)28(38)36-16-14-32-19-26(36)24-9-6-13-31-18-24/h1-3,6-9,13,17-18,22,26,32,39H,4-5,10-12,14-16,19-21H2
InChIKeyIBVFMBUTZZMEBV-UHFFFAOYSA-N
MW528.66 g/mol
LogP3.07
Rot. Bonds4

About 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one

3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one (PubChem CID 146671365) has the molecular formula C30H36N6O3 and a molecular weight of 528.66 g/mol. Its IUPAC name is 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
PubChem CID146671365
Molecular FormulaC30H36N6O3
Molecular Weight528.66 g/mol
Exact Mass528.28
IUPAC Name3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
SMILESO=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1cccnc1
InChIInChI=1S/C30H36N6O3/c37-27-17-25(23-7-2-1-3-8-23)33-22-35(27)21-30(39)12-15-34(20-29(30)10-4-5-11-29)28(38)36-16-14-32-19-26(36)24-9-6-13-31-18-24/h1-3,6-9,13,17-18,22,26,32,39H,4-5,10-12,14-16,19-21H2
InChIKeyIBVFMBUTZZMEBV-UHFFFAOYSA-N
XLogP3.07
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.66
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one with MolForge

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Related Compounds

US11807646, Example 185
CID 139369838
US11807646, Example 171
CID 139370249
US11807646, Example 291
CID 139370511
US11807646, Example 184
CID 139370598
US11807646, Example 201
CID 139375475
US11807646, Example 289
CID 139375668
US11807646, Example 249
CID 146627515
US11807646, Example 245
CID 155682806
3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 156788000
6-(3-fluoro-4-pyridinyl)-2-[(3S)-3-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]piperazin-1-yl]-3-methylpyrimidin-4-one
CID 57877836
US11807646, Example 200
CID 139375444
US11807646, Example 246
CID 146627562

Frequently Asked Questions

What is the IUPAC name of 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The IUPAC name of 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one (CID 146671365) is 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one.
What is the SMILES notation for 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The canonical SMILES for 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one is O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1c1cccnc1.
What is the InChIKey of 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
The InChIKey is IBVFMBUTZZMEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O3/c37-27-17-25(23-7-2-1-3-8-23)33-22-35(27)21-30(39)12-15-34(20-29(30)10-4-5-11-29)28(38)36-16-14-32-19-26(36)24-9-6-13-31-18-24/h1-3,6-9,13,17-18,22,26,32,39H,4-5,10-12,14-16,19-21H2.
What are the key properties of 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one?
3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one has a molecular weight of 528.66 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[10-hydroxy-7-(2-pyridin-3-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one is sourced from PubChem (CID 146671365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).