[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

C20H28N4O2 — CID 164690656

IUPAC[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cc(C)nc3c1c(C)nn3C)C2
InChIInChI=1S/C20H28N4O2/c1-13-11-15(17-14(2)22-23(3)18(17)21-13)19(25)24-10-6-9-20(12-24)8-5-7-16(20)26-4/h11,16H,5-10,12H2,1-4H3/t16-,20+/m1/s1
InChIKeyNOYCQRWCAJIZKO-UZLBHIALSA-N
MW356.47 g/mol
LogP3.01
Rot. Bonds2

About [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (PubChem CID 164690656) 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]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
PubChem CID164690656
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cc(C)nc3c1c(C)nn3C)C2
InChIInChI=1S/C20H28N4O2/c1-13-11-15(17-14(2)22-23(3)18(17)21-13)19(25)24-10-6-9-20(12-24)8-5-7-16(20)26-4/h11,16H,5-10,12H2,1-4H3/t16-,20+/m1/s1
InChIKeyNOYCQRWCAJIZKO-UZLBHIALSA-N
XLogP3.01
TPSA60.25 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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 164698009
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95724430
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56909422
azepan-1-yl-[1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 35430308
(4-cyclopentylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 56811591
(6R,11R)-11-hydroxy-8-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164696833
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 111561787
[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95280694
6-ethyl-3-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1,5-dimethylpyridin-2-one
CID 164697429
(3R,4R)-4-hydroxy-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 165423721
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388

Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The IUPAC name of [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone (CID 164690656) is [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The canonical SMILES for [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is CO[C@@H]1CCC[C@@]12CCCN(C(=O)c1cc(C)nc3c1c(C)nn3C)C2.
What is the InChIKey of [(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The InChIKey is NOYCQRWCAJIZKO-UZLBHIALSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-13-11-15(17-14(2)22-23(3)18(17)21-13)19(25)24-10-6-9-20(12-24)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]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone?
[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 3.01, 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]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 164690656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).