(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

C24H26N4O2 — CID 163311751

IUPAC(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(Cc1cnc(-c3cccc4ccccc34)nc1)CC[C@@H]2O
InChIInChI=1S/C24H26N4O2/c29-21-9-12-28(16-24(21)10-4-11-25-23(24)30)15-17-13-26-22(27-14-17)20-8-3-6-18-5-1-2-7-19(18)20/h1-3,5-8,13-14,21,29H,4,9-12,15-16H2,(H,25,30)/t21-,24+/m0/s1
InChIKeyBGFDCTOITNFJEJ-XUZZJYLKSA-N
MW402.50 g/mol
LogP2.76
Rot. Bonds3

About (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 163311751) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID163311751
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(Cc1cnc(-c3cccc4ccccc34)nc1)CC[C@@H]2O
InChIInChI=1S/C24H26N4O2/c29-21-9-12-28(16-24(21)10-4-11-25-23(24)30)15-17-13-26-22(27-14-17)20-8-3-6-18-5-1-2-7-19(18)20/h1-3,5-8,13-14,21,29H,4,9-12,15-16H2,(H,25,30)/t21-,24+/m0/s1
InChIKeyBGFDCTOITNFJEJ-XUZZJYLKSA-N
XLogP2.76
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R,11S)-11-hydroxy-8-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311348
(6R,11S)-11-hydroxy-8-[(6-methylquinolin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 165423962
(6R,11S)-11-hydroxy-8-isoquinolin-1-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 163318749
3-(hydroxymethyl)-1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol
CID 77092954
(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698502
(6R,11S)-11-hydroxy-8-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164693173
(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163314770
(6R,11R)-11-hydroxy-8-quinolin-4-yl-2,8-diazaspiro[5.5]undecan-1-one
CID 164695502
(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163312908
4-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]morpholine-2-carboxylic acid
CID 131909517

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 163311751) is (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is O=C1NCCC[C@]12CN(Cc1cnc(-c3cccc4ccccc34)nc1)CC[C@@H]2O.
What is the InChIKey of (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is BGFDCTOITNFJEJ-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-21-9-12-28(16-24(21)10-4-11-25-23(24)30)15-17-13-26-22(27-14-17)20-8-3-6-18-5-1-2-7-19(18)20/h1-3,5-8,13-14,21,29H,4,9-12,15-16H2,(H,25,30)/t21-,24+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 402.50 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 163311751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).