1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

C19H25N3O3 — CID 97216063

IUPAC1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESCCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cn3ccccc3n1)CC2
InChIInChI=1S/C19H25N3O3/c1-2-25-16-12-15(23)19(16)6-9-21(10-7-19)18(24)11-14-13-22-8-4-3-5-17(22)20-14/h3-5,8,13,15-16,23H,2,6-7,9-12H2,1H3/t15-,16-/m0/s1
InChIKeyQHHWKUBBZSYIHR-HOTGVXAUSA-N
MW343.43 g/mol
LogP1.66
Rot. Bonds4

About 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (PubChem CID 97216063) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
PubChem CID97216063
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESCCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cn3ccccc3n1)CC2
InChIInChI=1S/C19H25N3O3/c1-2-25-16-12-15(23)19(16)6-9-21(10-7-19)18(24)11-14-13-22-8-4-3-5-17(22)20-14/h3-5,8,13,15-16,23H,2,6-7,9-12H2,1H3/t15-,16-/m0/s1
InChIKeyQHHWKUBBZSYIHR-HOTGVXAUSA-N
XLogP1.66
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 111456878
2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111456899
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 119644297
3-ethoxy-7-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 111969522
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
1-(2-imidazo[1,2-a]pyridin-2-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146565
1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
CID 97216054
1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-4-pyridin-2-ylbutan-1-one
CID 97100777
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(N-ethylanilino)ethanone
CID 111456853
2-imidazo[1,2-a]pyridin-2-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39299976
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The IUPAC name of 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (CID 97216063) is 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.
What is the SMILES notation for 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The canonical SMILES for 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is CCO[C@H]1C[C@H](O)C12CCN(C(=O)Cc1cn3ccccc3n1)CC2.
What is the InChIKey of 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The InChIKey is QHHWKUBBZSYIHR-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-25-16-12-15(23)19(16)6-9-21(10-7-19)18(24)11-14-13-22-8-4-3-5-17(22)20-14/h3-5,8,13,15-16,23H,2,6-7,9-12H2,1H3/t15-,16-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone has a molecular weight of 343.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is sourced from PubChem (CID 97216063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).