(5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one

C21H24N4O2 — CID 58237327

IUPAC(5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1ccnc(N2CC[C@]3(CCC[C@H](CC(=O)c4ccccn4)C3)C2=O)n1
InChIInChI=1S/C21H24N4O2/c1-15-7-11-23-20(24-15)25-12-9-21(19(25)27)8-4-5-16(14-21)13-18(26)17-6-2-3-10-22-17/h2-3,6-7,10-11,16H,4-5,8-9,12-14H2,1H3/t16-,21+/m1/s1
InChIKeyWKFZMFWMSXGEPJ-IERDGZPVSA-N
MW364.45 g/mol
LogP3.37
Rot. Bonds4

About (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one

(5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58237327) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58237327
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one
SMILESCc1ccnc(N2CC[C@]3(CCC[C@H](CC(=O)c4ccccn4)C3)C2=O)n1
InChIInChI=1S/C21H24N4O2/c1-15-7-11-23-20(24-15)25-12-9-21(19(25)27)8-4-5-16(14-21)13-18(26)17-6-2-3-10-22-17/h2-3,6-7,10-11,16H,4-5,8-9,12-14H2,1H3/t16-,21+/m1/s1
InChIKeyWKFZMFWMSXGEPJ-IERDGZPVSA-N
XLogP3.37
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one (CID 58237327) is (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one is Cc1ccnc(N2CC[C@]3(CCC[C@H](CC(=O)c4ccccn4)C3)C2=O)n1.
What is the InChIKey of (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is WKFZMFWMSXGEPJ-IERDGZPVSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-7-11-23-20(24-15)25-12-9-21(19(25)27)8-4-5-16(14-21)13-18(26)17-6-2-3-10-22-17/h2-3,6-7,10-11,16H,4-5,8-9,12-14H2,1H3/t16-,21+/m1/s1.
What are the key properties of (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one?
(5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2-(4-methylpyrimidin-2-yl)-7-(2-oxo-2-pyridin-2-ylethyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58237327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).