(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one

C25H26N4O2 — CID 92575491

IUPAC(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2ccccc2)N1
InChIInChI=1S/C25H26N4O2/c30-23-8-4-13-25(28-23)18-29(17-22(25)20-6-2-1-3-7-20)16-19-9-11-21(12-10-19)31-24-26-14-5-15-27-24/h1-3,5-7,9-12,14-15,22H,4,8,13,16-18H2,(H,28,30)/t22-,25+/m0/s1
InChIKeyQVXWXBFCRLMGFK-WIOPSUGQSA-N
MW414.51 g/mol
LogP3.91
Rot. Bonds5

About (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92575491) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92575491
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2ccccc2)N1
InChIInChI=1S/C25H26N4O2/c30-23-8-4-13-25(28-23)18-29(17-22(25)20-6-2-1-3-7-20)16-19-9-11-21(12-10-19)31-24-26-14-5-15-27-24/h1-3,5-7,9-12,14-15,22H,4,8,13,16-18H2,(H,28,30)/t22-,25+/m0/s1
InChIKeyQVXWXBFCRLMGFK-WIOPSUGQSA-N
XLogP3.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5S)-4-pyridin-3-yl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92570751
(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
CID 92574940
(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92583127
(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92611453
(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110131026
(4R,5S)-4-pyridin-3-yl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92572962
N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
CID 92550677
(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92606807
N-[3-[(4R,5S)-7-oxo-2-(pyridin-2-ylmethyl)-2,6-diazaspiro[4.6]undecan-4-yl]phenyl]acetamide
CID 110129742
(4R,5S)-4-pyridin-2-yl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92572959
[3-benzyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanol
CID 45193972
(4R,5S)-2-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-2-yl-2,6-diazaspiro[4.6]undecan-7-one
CID 92595797

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one (CID 92575491) is (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(Cc3ccc(Oc4ncccn4)cc3)C[C@H]2c2ccccc2)N1.
What is the InChIKey of (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is QVXWXBFCRLMGFK-WIOPSUGQSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-23-8-4-13-25(28-23)18-29(17-22(25)20-6-2-1-3-7-20)16-19-9-11-21(12-10-19)31-24-26-14-5-15-27-24/h1-3,5-7,9-12,14-15,22H,4,8,13,16-18H2,(H,28,30)/t22-,25+/m0/s1.
What are the key properties of (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 414.51 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92575491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).