[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C20H28N4O2 — CID 164698009

IUPAC[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)c1c(C)nn3c(C)cc(C)nc13)C2
InChIInChI=1S/C20H28N4O2/c1-13-11-14(2)24-18(21-13)17(15(3)22-24)19(25)23-10-6-9-20(12-23)8-5-7-16(20)26-4/h11,16H,5-10,12H2,1-4H3/t16-,20+/m1/s1
InChIKeyCANFUFNQSVPTMY-UZLBHIALSA-N
MW356.47 g/mol
LogP3.08
Rot. Bonds2

About [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 164698009) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID164698009
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)c1c(C)nn3c(C)cc(C)nc13)C2
InChIInChI=1S/C20H28N4O2/c1-13-11-14(2)24-18(21-13)17(15(3)22-24)19(25)23-10-6-9-20(12-23)8-5-7-16(20)26-4/h11,16H,5-10,12H2,1-4H3/t16-,20+/m1/s1
InChIKeyCANFUFNQSVPTMY-UZLBHIALSA-N
XLogP3.08
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone with MolForge

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Related Compounds

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 164690656
1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 164693700
(3-aminopiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119379880
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 163314299
(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124696891
(4-aminopiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119375224
(4-pyrrolidin-1-ylpiperidin-1-yl)-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 75461979
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 120808275
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone;hydrochloride
CID 120808274
4-[1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72904029
[4-(aminomethyl)piperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 119423559
[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 162634235

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 164698009) is [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1c(C)nn3c(C)cc(C)nc13)C2.
What is the InChIKey of [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is CANFUFNQSVPTMY-UZLBHIALSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-11-14(2)24-18(21-13)17(15(3)22-24)19(25)23-10-6-9-20(12-23)8-5-7-16(20)26-4/h11,16H,5-10,12H2,1-4H3/t16-,20+/m1/s1.
What are the key properties of [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 164698009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).