1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C23H25N3O3 — CID 155504883

IUPAC1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3C[C@H](O)[C@@]4(C3)[C@H](CO)[C@H]4c3ccccc3)cnc12
InChIInChI=1S/C23H25N3O3/c1-15-6-5-9-26-17(11-24-22(15)26)10-20(29)25-12-19(28)23(14-25)18(13-27)21(23)16-7-3-2-4-8-16/h2-9,11,18-19,21,27-28H,10,12-14H2,1H3/t18-,19+,21-,23-/m1/s1
InChIKeyANRIRLFFRKQNEJ-MHXAIHSWSA-N
MW391.47 g/mol
LogP1.78
Rot. Bonds4

About 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone

1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 155504883) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID155504883
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1cccn2c(CC(=O)N3C[C@H](O)[C@@]4(C3)[C@H](CO)[C@H]4c3ccccc3)cnc12
InChIInChI=1S/C23H25N3O3/c1-15-6-5-9-26-17(11-24-22(15)26)10-20(29)25-12-19(28)23(14-25)18(13-27)21(23)16-7-3-2-4-8-16/h2-9,11,18-19,21,27-28H,10,12-14H2,1H3/t18-,19+,21-,23-/m1/s1
InChIKeyANRIRLFFRKQNEJ-MHXAIHSWSA-N
XLogP1.78
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]ethanone
CID 155496543
[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyridin-4-ylmethanone
CID 155503199
3-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptane-6-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 155508258
N-[3-[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-3-oxopropyl]methanesulfonamide
CID 155505868
1-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 171908625
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone
CID 70704986
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 133267825
3-(benzimidazol-1-yl)-1-[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]propan-1-one
CID 155498539
(5-fluoro-2-methylphenyl)-[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]methanone
CID 155506767
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 166257543
[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 163306164
[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 155508417

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 155504883) is 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1cccn2c(CC(=O)N3C[C@H](O)[C@@]4(C3)[C@H](CO)[C@H]4c3ccccc3)cnc12.
What is the InChIKey of 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is ANRIRLFFRKQNEJ-MHXAIHSWSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-6-5-9-26-17(11-24-22(15)26)10-20(29)25-12-19(28)23(14-25)18(13-27)21(23)16-7-3-2-4-8-16/h2-9,11,18-19,21,27-28H,10,12-14H2,1H3/t18-,19+,21-,23-/m1/s1.
What are the key properties of 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 391.47 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 155504883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).