[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

C17H24N4O2 — CID 164694475

IUPAC[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnn3ccn(C)c13)C2
InChIInChI=1S/C17H24N4O2/c1-19-9-10-21-15(19)13(11-18-21)16(22)20-8-4-7-17(12-20)6-3-5-14(17)23-2/h9-11,14H,3-8,12H2,1-2H3/t14-,17-/m1/s1
InChIKeyWDBQORWGGVIDSB-RHSMWYFYSA-N
MW316.40 g/mol
LogP2.09
Rot. Bonds2

About [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 164694475) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID164694475
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnn3ccn(C)c13)C2
InChIInChI=1S/C17H24N4O2/c1-19-9-10-21-15(19)13(11-18-21)16(22)20-8-4-7-17(12-20)6-3-5-14(17)23-2/h9-11,14H,3-8,12H2,1-2H3/t14-,17-/m1/s1
InChIKeyWDBQORWGGVIDSB-RHSMWYFYSA-N
XLogP2.09
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 164694475) is [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnn3ccn(C)c13)C2.
What is the InChIKey of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is WDBQORWGGVIDSB-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19-9-10-21-15(19)13(11-18-21)16(22)20-8-4-7-17(12-20)6-3-5-14(17)23-2/h9-11,14H,3-8,12H2,1-2H3/t14-,17-/m1/s1.
What are the key properties of [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 164694475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).