[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C20H26N8O — CID 56715338

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCN(c4ncccn4)CC3)cnn2c1
InChIInChI=1S/C20H26N8O/c1-3-25(4-2)14-16-12-23-18-17(13-24-28(18)15-16)19(29)26-8-10-27(11-9-26)20-21-6-5-7-22-20/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3
InChIKeyXYUIZOBNGFAUEU-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.32
Rot. Bonds6

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 56715338) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID56715338
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCN(c4ncccn4)CC3)cnn2c1
InChIInChI=1S/C20H26N8O/c1-3-25(4-2)14-16-12-23-18-17(13-24-28(18)15-16)19(29)26-8-10-27(11-9-26)20-21-6-5-7-22-20/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3
InChIKeyXYUIZOBNGFAUEU-UHFFFAOYSA-N
XLogP1.32
TPSA82.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 56715338) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCN(c4ncccn4)CC3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XYUIZOBNGFAUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-3-25(4-2)14-16-12-23-18-17(13-24-28(18)15-16)19(29)26-8-10-27(11-9-26)20-21-6-5-7-22-20/h5-7,12-13,15H,3-4,8-11,14H2,1-2H3.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 394.48 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 56715338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).