8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C20H26N4O2 — CID 17391732

IUPAC8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1cn3ccccc3n1)C2=O
InChIInChI=1S/C20H26N4O2/c1-19(2,3)14-7-9-20(10-8-14)17(25)24(18(26)22-20)13-15-12-23-11-5-4-6-16(23)21-15/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,22,26)
InChIKeyGPAVHUUEMRLHME-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.36
Rot. Bonds2

About 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 17391732) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID17391732
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1cn3ccccc3n1)C2=O
InChIInChI=1S/C20H26N4O2/c1-19(2,3)14-7-9-20(10-8-14)17(25)24(18(26)22-20)13-15-12-23-11-5-4-6-16(23)21-15/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,22,26)
InChIKeyGPAVHUUEMRLHME-UHFFFAOYSA-N
XLogP3.36
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.36
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

(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40971920
(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 25345743
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64879027
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 17392520
(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
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64878983
3-[(6-chloro-2-pyridinyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79233332
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120863381
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918844
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41042024
2-tert-butyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)cyclohexan-1-amine
CID 60664361
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 17391732) is 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1cn3ccccc3n1)C2=O.
What is the InChIKey of 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GPAVHUUEMRLHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-19(2,3)14-7-9-20(10-8-14)17(25)24(18(26)22-20)13-15-12-23-11-5-4-6-16(23)21-15/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,22,26).
What are the key properties of 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 354.45 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 17391732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).