9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C18H22N4O3 — CID 56883107

IUPAC9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(C(=O)CCc3cn4ccccc4n3)CC2)O1
InChIInChI=1S/C18H22N4O3/c23-16(6-5-14-12-22-9-2-1-4-15(22)20-14)21-10-3-7-18(8-11-21)13-19-17(24)25-18/h1-2,4,9,12H,3,5-8,10-11,13H2,(H,19,24)
InChIKeyFBRZTRYGNXDESL-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.76
Rot. Bonds3

About 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56883107) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56883107
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1NCC2(CCCN(C(=O)CCc3cn4ccccc4n3)CC2)O1
InChIInChI=1S/C18H22N4O3/c23-16(6-5-14-12-22-9-2-1-4-15(22)20-14)21-10-3-7-18(8-11-21)13-19-17(24)25-18/h1-2,4,9,12H,3,5-8,10-11,13H2,(H,19,24)
InChIKeyFBRZTRYGNXDESL-UHFFFAOYSA-N
XLogP1.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-[3-(1H-benzimidazol-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95720371
(5S)-9-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95725555
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56896758
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
9-(indolizine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 162626144
(5R)-9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720663
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703
(3aS,6aS)-5-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50968863
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
1-[(3S,4S)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpropan-1-one
CID 133113552
4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70748846
3-imidazo[1,2-a]pyridin-2-yl-1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]propan-1-one
CID 45205814

Frequently Asked Questions

What is the IUPAC name of 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56883107) is 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1NCC2(CCCN(C(=O)CCc3cn4ccccc4n3)CC2)O1.
What is the InChIKey of 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is FBRZTRYGNXDESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16(6-5-14-12-22-9-2-1-4-15(22)20-14)21-10-3-7-18(8-11-21)13-19-17(24)25-18/h1-2,4,9,12H,3,5-8,10-11,13H2,(H,19,24).
What are the key properties of 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56883107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).