2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide

C17H28N4O4 — CID 135101428

IUPAC2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cnn1C
InChIInChI=1S/C17H28N4O4/c1-12-13(10-18-20(12)3)19-14(22)11-21-7-4-17(5-8-21)15(23)16(2,24)6-9-25-17/h10,15,23-24H,4-9,11H2,1-3H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyDOLJUPJGEJDZBR-JKSUJKDBSA-N
MW352.44 g/mol
LogP0.03
Rot. Bonds3

About 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide

2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 135101428) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
PubChem CID135101428
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Name2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cnn1C
InChIInChI=1S/C17H28N4O4/c1-12-13(10-18-20(12)3)19-14(22)11-21-7-4-17(5-8-21)15(23)16(2,24)6-9-25-17/h10,15,23-24H,4-9,11H2,1-3H3,(H,19,22)/t15-,16+/m0/s1
InChIKeyDOLJUPJGEJDZBR-JKSUJKDBSA-N
XLogP0.03
TPSA99.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137342205
N-(1,5-dimethylpyrazol-4-yl)-2-[(2R)-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-yl]acetamide
CID 124852050
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991889
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 135100932
N-(1,5-dimethylpyrazol-4-yl)-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 46957686
9-[(1,5-dimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 77097043
6-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrazine-2-carboxylic acid
CID 137345511
N-(1,5-dimethylpyrazol-4-yl)-2-[4-[6-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110093998
N-(1,5-dimethylpyrazol-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167932355
N-[[(3R)-1-[2-[(1,5-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-3-yl]methyl]-4-fluorobenzamide
CID 97283723

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (CID 135101428) is 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CN2CCC3(CC2)OCC[C@@](C)(O)[C@@H]3O)cnn1C.
What is the InChIKey of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is DOLJUPJGEJDZBR-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-12-13(10-18-20(12)3)19-14(22)11-21-7-4-17(5-8-21)15(23)16(2,24)6-9-25-17/h10,15,23-24H,4-9,11H2,1-3H3,(H,19,22)/t15-,16+/m0/s1.
What are the key properties of 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 352.44 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 135101428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).