(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C23H25N3O3 — CID 110142172

IUPAC(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1cccc2nc(C(=O)N3CCC[C@@]4(C[C@@H](Oc5ccccc5)CO4)C3)cn12
InChIInChI=1S/C23H25N3O3/c1-17-7-5-10-21-24-20(14-26(17)21)22(27)25-12-6-11-23(16-25)13-19(15-28-23)29-18-8-3-2-4-9-18/h2-5,7-10,14,19H,6,11-13,15-16H2,1H3/t19-,23-/m1/s1
InChIKeyJOEQYZYHVOAVGA-AUSIDOKSSA-N
MW391.47 g/mol
LogP3.49
Rot. Bonds3

About (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 110142172) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Name(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID110142172
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCc1cccc2nc(C(=O)N3CCC[C@@]4(C[C@@H](Oc5ccccc5)CO4)C3)cn12
InChIInChI=1S/C23H25N3O3/c1-17-7-5-10-21-24-20(14-26(17)21)22(27)25-12-6-11-23(16-25)13-19(15-28-23)29-18-8-3-2-4-9-18/h2-5,7-10,14,19H,6,11-13,15-16H2,1H3/t19-,23-/m1/s1
InChIKeyJOEQYZYHVOAVGA-AUSIDOKSSA-N
XLogP3.49
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 110141985
pyridin-2-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97371619
pyrazin-2-yl-[(3R,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419587
(1-methylpyrazol-4-yl)-[(3S,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97476687
pyridin-4-yl-[(3S,5R)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409097
pyridin-4-yl-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97409098
pyridin-3-yl-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 134071304
1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97484872
(4-methyl-1,3-oxazol-5-yl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419782
(2-methylphenyl)-(3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl)methanone;2,2,2-trifluoroacetic acid
CID 155866870
[(3R,5R)-3-(2-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 110141838
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665

Frequently Asked Questions

What is the IUPAC name of (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 110142172) is (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is Cc1cccc2nc(C(=O)N3CCC[C@@]4(C[C@@H](Oc5ccccc5)CO4)C3)cn12.
What is the InChIKey of (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is JOEQYZYHVOAVGA-AUSIDOKSSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-7-5-10-21-24-20(14-26(17)21)22(27)25-12-6-11-23(16-25)13-19(15-28-23)29-18-8-3-2-4-9-18/h2-5,7-10,14,19H,6,11-13,15-16H2,1H3/t19-,23-/m1/s1.
What are the key properties of (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 110142172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).