[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone

C18H27N3O2 — CID 129331093

IUPAC[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
SMILESC[C@@H]1CC[C@]2(CCN(C(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)C2)C1
InChIInChI=1S/C18H27N3O2/c1-13-3-5-18(9-13)6-7-21(12-18)17(22)15-4-8-23-16(15)14-10-19-20(2)11-14/h10-11,13,15-16H,3-9,12H2,1-2H3/t13-,15+,16-,18+/m1/s1
InChIKeyIWCNQGANZWBFIH-VUNQQRPYSA-N
MW317.43 g/mol
LogP2.54
Rot. Bonds2

About [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone

[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone (PubChem CID 129331093) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
PubChem CID129331093
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
SMILESC[C@@H]1CC[C@]2(CCN(C(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)C2)C1
InChIInChI=1S/C18H27N3O2/c1-13-3-5-18(9-13)6-7-21(12-18)17(22)15-4-8-23-16(15)14-10-19-20(2)11-14/h10-11,13,15-16H,3-9,12H2,1-2H3/t13-,15+,16-,18+/m1/s1
InChIKeyIWCNQGANZWBFIH-VUNQQRPYSA-N
XLogP2.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone with MolForge

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Related Compounds

1,3-dihydroisoindol-2-yl-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
CID 128994244
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanone
CID 155955008
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699497
(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 86775431
2-(1-methylpyrazol-4-yl)oxolane-3-carbaldehyde
CID 130815204
8-methyl-N-(2-pyridin-3-ylethyl)-2-azaspiro[4.4]nonane-2-carboxamide
CID 146131989
(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129471937
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 129003529
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493

Frequently Asked Questions

What is the IUPAC name of [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone?
The IUPAC name of [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone (CID 129331093) is [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone.
What is the SMILES notation for [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone?
The canonical SMILES for [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone is C[C@@H]1CC[C@]2(CCN(C(=O)[C@H]3CCO[C@@H]3c3cnn(C)c3)C2)C1.
What is the InChIKey of [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone?
The InChIKey is IWCNQGANZWBFIH-VUNQQRPYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-3-5-18(9-13)6-7-21(12-18)17(22)15-4-8-23-16(15)14-10-19-20(2)11-14/h10-11,13,15-16H,3-9,12H2,1-2H3/t13-,15+,16-,18+/m1/s1.
What are the key properties of [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone?
[(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,8R)-8-methyl-2-azaspiro[4.4]nonan-2-yl]-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone is sourced from PubChem (CID 129331093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).