4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C19H27N5O — CID 56712838

IUPAC4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCCC34CC4)cnn2c1
InChIInChI=1S/C19H27N5O/c1-3-22(4-2)13-15-11-20-17-16(12-21-24(17)14-15)18(25)23-10-6-5-7-19(23)8-9-19/h11-12,14H,3-10,13H2,1-2H3
InChIKeyKXXYFRQWRZTDAC-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.73
Rot. Bonds5

About 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 56712838) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID56712838
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCCC34CC4)cnn2c1
InChIInChI=1S/C19H27N5O/c1-3-22(4-2)13-15-11-20-17-16(12-21-24(17)14-15)18(25)23-10-6-5-7-19(23)8-9-19/h11-12,14H,3-10,13H2,1-2H3
InChIKeyKXXYFRQWRZTDAC-UHFFFAOYSA-N
XLogP2.73
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 56712838) is 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCCCC34CC4)cnn2c1.
What is the InChIKey of 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is KXXYFRQWRZTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-3-22(4-2)13-15-11-20-17-16(12-21-24(17)14-15)18(25)23-10-6-5-7-19(23)8-9-19/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 56712838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).