3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

C18H24N4O — CID 71934275

IUPAC3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H24N4O/c1-14-15(16-19-10-5-11-22(16)20-14)17(23)21-12-8-18(9-13-21)6-3-2-4-7-18/h5,10-11H,2-4,6-9,12-13H2,1H3
InChIKeyAQAGKNHYKBZNOQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.22
Rot. Bonds1

About 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 71934275) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Name3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID71934275
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESCc1nn2cccnc2c1C(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C18H24N4O/c1-14-15(16-19-10-5-11-22(16)20-14)17(23)21-12-8-18(9-13-21)6-3-2-4-7-18/h5,10-11H,2-4,6-9,12-13H2,1H3
InChIKeyAQAGKNHYKBZNOQ-UHFFFAOYSA-N
XLogP3.22
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylcyclohexyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907761
US11142526, Example 171
CID 137533144
N-(5-cyano-2-adamantyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127040448
N~3~-allyl-N~3~-methyl-6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53015717
(5-Methylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53559001
(3-Imidazol-1-ylpiperidin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 53605645
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 53613012
(2-Methylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 72045334
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 72142673
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 72142736
[3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 72146807
[3-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 72147270

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 71934275) is 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is Cc1nn2cccnc2c1C(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is AQAGKNHYKBZNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-15(16-19-10-5-11-22(16)20-14)17(23)21-12-8-18(9-13-21)6-3-2-4-7-18/h5,10-11H,2-4,6-9,12-13H2,1H3.
What are the key properties of 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone?
3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azaspiro[5.5]undecan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 71934275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).