(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H20N4O2 — CID 40971920

IUPAC(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3n1)C2=O
InChIInChI=1S/C17H20N4O2/c1-12-6-2-4-8-17(12)15(22)21(16(23)19-17)11-13-10-20-9-5-3-7-14(20)18-13/h3,5,7,9-10,12H,2,4,6,8,11H2,1H3,(H,19,23)/t12-,17+/m0/s1
InChIKeyTYRJHFVPJSIKHA-YVEFUNNKSA-N
MW312.37 g/mol
LogP2.34
Rot. Bonds2

About (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 40971920) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID40971920
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3n1)C2=O
InChIInChI=1S/C17H20N4O2/c1-12-6-2-4-8-17(12)15(22)21(16(23)19-17)11-13-10-20-9-5-3-7-14(20)18-13/h3,5,7,9-10,12H,2,4,6,8,11H2,1H3,(H,19,23)/t12-,17+/m0/s1
InChIKeyTYRJHFVPJSIKHA-YVEFUNNKSA-N
XLogP2.34
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S,6S)-6-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40973285
8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17391732
(5R,6R)-6-methyl-3-[(2-phenyltriazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51951203
(5S,6R)-6-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 92854308
(5S,6S)-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8943443
(5R,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265700
(5S,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265698
(5R,6R)-3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9441602
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
(5R,6S)-3-[(1,3-diphenylpyrazol-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7703185
3-[(3-chlorophenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3330388
(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 25345743

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 40971920) is (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3n1)C2=O.
What is the InChIKey of (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is TYRJHFVPJSIKHA-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-6-2-4-8-17(12)15(22)21(16(23)19-17)11-13-10-20-9-5-3-7-14(20)18-13/h3,5,7,9-10,12H,2,4,6,8,11H2,1H3,(H,19,23)/t12-,17+/m0/s1.
What are the key properties of (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 312.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 40971920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).