1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone

C19H25N3O3 — CID 97216054

IUPAC1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1ncc3ccccc31)CC2
InChIInChI=1S/C19H25N3O3/c1-2-25-17-11-16(23)19(17)7-9-21(10-8-19)18(24)13-22-15-6-4-3-5-14(15)12-20-22/h3-6,12,16-17,23H,2,7-11,13H2,1H3/t16-,17+/m0/s1
InChIKeyNVUZQPLGFDRSAM-DLBZAZTESA-N
MW343.43 g/mol
LogP1.81
Rot. Bonds4

About 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone

1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone (PubChem CID 97216054) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
PubChem CID97216054
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1ncc3ccccc31)CC2
InChIInChI=1S/C19H25N3O3/c1-2-25-17-11-16(23)19(17)7-9-21(10-8-19)18(24)13-22-15-6-4-3-5-14(15)12-20-22/h3-6,12,16-17,23H,2,7-11,13H2,1H3/t16-,17+/m0/s1
InChIKeyNVUZQPLGFDRSAM-DLBZAZTESA-N
XLogP1.81
TPSA67.59 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 ≤ 51.81
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-(N-ethylanilino)ethanone
CID 111456853
2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111456899
1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 97216063
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846
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-(4-methylphenyl)ethanone
CID 111456935
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[(1R,2S)-2-(2-methylphenyl)cyclopropyl]methanone
CID 97216074
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71929955
(2S)-2-amino-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-phenylpropan-1-one
CID 125134162
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 111456878
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indazol-3-yl)methanone
CID 97216094

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone?
The IUPAC name of 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone (CID 97216054) is 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone.
What is the SMILES notation for 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone?
The canonical SMILES for 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone is CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1ncc3ccccc31)CC2.
What is the InChIKey of 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone?
The InChIKey is NVUZQPLGFDRSAM-DLBZAZTESA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-25-17-11-16(23)19(17)7-9-21(10-8-19)18(24)13-22-15-6-4-3-5-14(15)12-20-22/h3-6,12,16-17,23H,2,7-11,13H2,1H3/t16-,17+/m0/s1.
What are the key properties of 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone?
1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone has a molecular weight of 343.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone is sourced from PubChem (CID 97216054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).