(1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C18H30N4O3 — CID 110124960

IUPAC(1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCCn1nc(C(=O)N2CCC3(CC2)C[C@H](NC)[C@@](C)(O)CO3)cc1C
InChIInChI=1S/C18H30N4O3/c1-5-22-13(2)10-14(20-22)16(23)21-8-6-18(7-9-21)11-15(19-4)17(3,24)12-25-18/h10,15,19,24H,5-9,11-12H2,1-4H3/t15-,17-/m0/s1
InChIKeyFAAYOZCLNRANIC-RDJZCZTQSA-N
MW350.46 g/mol
LogP0.95
Rot. Bonds3

About (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 110124960) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID110124960
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name(1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCCn1nc(C(=O)N2CCC3(CC2)C[C@H](NC)[C@@](C)(O)CO3)cc1C
InChIInChI=1S/C18H30N4O3/c1-5-22-13(2)10-14(20-22)16(23)21-8-6-18(7-9-21)11-15(19-4)17(3,24)12-25-18/h10,15,19,24H,5-9,11-12H2,1-4H3/t15-,17-/m0/s1
InChIKeyFAAYOZCLNRANIC-RDJZCZTQSA-N
XLogP0.95
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone with MolForge

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Related Compounds

[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methylthiophen-2-yl)methanone
CID 110124950
[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methyl-3-pyridinyl)methanone;hydrochloride
CID 171687545
1-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-imidazol-1-ylethanone
CID 110124931
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
1-(1-ethyl-5-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 110681708
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
N-[(3R,4S)-3-hydroxy-3-methyl-9-(pyridine-3-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110124997
(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
6-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514673
N-[(3R,4S)-3-hydroxy-3-methyl-9-(2-pyrazol-1-ylacetyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110125008
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357
N-[(3R,4S)-9-[2-(1,2-dimethylindol-5-yl)oxyacetyl]-3-hydroxy-3-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 110164224

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 110124960) is (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CCn1nc(C(=O)N2CCC3(CC2)C[C@H](NC)[C@@](C)(O)CO3)cc1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is FAAYOZCLNRANIC-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-22-13(2)10-14(20-22)16(23)21-8-6-18(7-9-21)11-15(19-4)17(3,24)12-25-18/h10,15,19,24H,5-9,11-12H2,1-4H3/t15-,17-/m0/s1.
What are the key properties of (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-3-yl)-[(3R,4S)-3-hydroxy-3-methyl-4-(methylamino)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 110124960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).