6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H24N4O3 — CID 164691828

IUPAC6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnc3cc(C)[nH]n3c1=O)C2
InChIInChI=1S/C18H24N4O3/c1-12-9-15-19-10-13(17(24)22(15)20-12)16(23)21-8-4-7-18(11-21)6-3-5-14(18)25-2/h9-10,14,20H,3-8,11H2,1-2H3/t14-,18-/m1/s1
InChIKeyVZSURSKKUWXWDA-RDTXWAMCSA-N
MW344.42 g/mol
LogP1.75
Rot. Bonds2

About 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 164691828) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID164691828
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnc3cc(C)[nH]n3c1=O)C2
InChIInChI=1S/C18H24N4O3/c1-12-9-15-19-10-13(17(24)22(15)20-12)16(23)21-8-4-7-18(11-21)6-3-5-14(18)25-2/h9-10,14,20H,3-8,11H2,1-2H3/t14-,18-/m1/s1
InChIKeyVZSURSKKUWXWDA-RDTXWAMCSA-N
XLogP1.75
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 154570209
6-{[rel-(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propyl-1-piperidinyl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one formate
CID 155917060
6-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 163313674
6-{[rel-(1R,5R)-1-methoxy-7-azaspiro[4.5]dec-7-yl]carbonyl}-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 165426886
6-{[rel-(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undec-2-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one formate
CID 165428406

Frequently Asked Questions

What is the IUPAC name of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 164691828) is 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CO[C@@H]1CCC[C@]12CCCN(C(=O)c1cnc3cc(C)[nH]n3c1=O)C2.
What is the InChIKey of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VZSURSKKUWXWDA-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-9-15-19-10-13(17(24)22(15)20-12)16(23)21-8-4-7-18(11-21)6-3-5-14(18)25-2/h9-10,14,20H,3-8,11H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 344.42 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 164691828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).