2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

C17H27N3O2 — CID 164698084

IUPAC2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)Cc1cn(C)nc1C)C2
InChIInChI=1S/C17H27N3O2/c1-13-14(11-19(2)18-13)10-16(21)20-9-5-8-17(12-20)7-4-6-15(17)22-3/h11,15H,4-10,12H2,1-3H3/t15-,17-/m1/s1
InChIKeyFAACQKZJTOOPIS-NVXWUHKLSA-N
MW305.42 g/mol
LogP2.08
Rot. Bonds3

About 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone

2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone (PubChem CID 164698084) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
PubChem CID164698084
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)Cc1cn(C)nc1C)C2
InChIInChI=1S/C17H27N3O2/c1-13-14(11-19(2)18-13)10-16(21)20-9-5-8-17(12-20)7-4-6-15(17)22-3/h11,15H,4-10,12H2,1-3H3/t15-,17-/m1/s1
InChIKeyFAACQKZJTOOPIS-NVXWUHKLSA-N
XLogP2.08
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone 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

5-[2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 164695394
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164695123
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164690189
1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 164693700
1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 135105492
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 163314299
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 164690656
formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 154917887
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 135115085
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 164698009
cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 135106446
1H-imidazol-5-yl-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164689152

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone (CID 164698084) is 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone is CO[C@@H]1CCC[C@]12CCCN(C(=O)Cc1cn(C)nc1C)C2.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone?
The InChIKey is FAACQKZJTOOPIS-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-14(11-19(2)18-13)10-16(21)20-9-5-8-17(12-20)7-4-6-15(17)22-3/h11,15H,4-10,12H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone?
2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone has a molecular weight of 305.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone is sourced from PubChem (CID 164698084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).