1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

C18H23N3O3 — CID 110156945

IUPAC1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C18H23N3O3/c1-13-14(21-8-3-2-5-16(21)19-13)11-17(23)20-9-6-15(22)18(12-20)7-4-10-24-18/h2-3,5,8,15,22H,4,6-7,9-12H2,1H3/t15-,18-/m0/s1
InChIKeyMBEBGUNSVQQGCI-YJBOKZPZSA-N
MW329.40 g/mol
LogP1.33
Rot. Bonds2

About 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone

1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 110156945) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID110156945
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCc1nc2ccccn2c1CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C18H23N3O3/c1-13-14(21-8-3-2-5-16(21)19-13)11-17(23)20-9-6-15(22)18(12-20)7-4-10-24-18/h2-3,5,8,15,22H,4,6-7,9-12H2,1H3/t15-,18-/m0/s1
InChIKeyMBEBGUNSVQQGCI-YJBOKZPZSA-N
XLogP1.33
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 127247124
2-(3-fluorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156402
2-(3-chlorophenyl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156721
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125024089
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 110090746
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124967892
4-(3,5-dimethylpyrazol-1-yl)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]butan-1-one
CID 110156857
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 110090586
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124998993
[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methoxyphenyl)methanone
CID 110156370
1-[(6S,9R,10S)-9-(4-fluorophenyl)-10-propan-2-yl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 110154911

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone (CID 110156945) is 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is Cc1nc2ccccn2c1CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is MBEBGUNSVQQGCI-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-14(21-8-3-2-5-16(21)19-13)11-17(23)20-9-6-15(22)18(12-20)7-4-10-24-18/h2-3,5,8,15,22H,4,6-7,9-12H2,1H3/t15-,18-/m0/s1.
What are the key properties of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone?
1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 110156945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).