(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C21H23N5O — CID 138998943

IUPAC(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H23N5O/c27-20(18-13-23-26-10-4-9-22-19(18)26)25-12-8-21(16-25)7-11-24(15-21)14-17-5-2-1-3-6-17/h1-6,9-10,13H,7-8,11-12,14-16H2
InChIKeyRFYVKLHRVMAFFM-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.47
Rot. Bonds3

About (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 138998943) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID138998943
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESO=C(c1cnn2cccnc12)N1CCC2(CCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C21H23N5O/c27-20(18-13-23-26-10-4-9-22-19(18)26)25-12-8-21(16-25)7-11-24(15-21)14-17-5-2-1-3-6-17/h1-6,9-10,13H,7-8,11-12,14-16H2
InChIKeyRFYVKLHRVMAFFM-UHFFFAOYSA-N
XLogP2.47
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-1-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259369
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110097965
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-spiro[2.3]hexan-5-ylmethanone
CID 138035435
(6-benzyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 167943915
[3-benzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 166916893
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
pyrazolo[1,5-a]pyrimidin-3-yl(spiro[1H-2-benzofuran-3,3'-piperidine]-1'-yl)methanone
CID 127918005
[(3R,5R)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 97394035
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 131646194
2-[2-(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-2-oxoethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 138998935
[(5R)-7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 97473134
[7-[(4-phenylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 131661553

Frequently Asked Questions

What is the IUPAC name of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 138998943) is (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is O=C(c1cnn2cccnc12)N1CCC2(CCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is RFYVKLHRVMAFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-20(18-13-23-26-10-4-9-22-19(18)26)25-12-8-21(16-25)7-11-24(15-21)14-17-5-2-1-3-6-17/h1-6,9-10,13H,7-8,11-12,14-16H2.
What are the key properties of (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
(7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 361.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzyl-2,7-diazaspiro[4.4]nonan-2-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 138998943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).