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

C20H32N6O — CID 56721952

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CC(C)(C)N(C)C[C@@H]3C)cnn2c1
InChIInChI=1S/C20H32N6O/c1-7-24(8-2)12-16-9-21-18-17(10-22-26(18)13-16)19(27)25-14-20(4,5)23(6)11-15(25)3/h9-10,13,15H,7-8,11-12,14H2,1-6H3/t15-/m0/s1
InChIKeyUFDJDYCXXMNTFL-HNNXBMFYSA-N
MW372.52 g/mol
LogP2.13
Rot. Bonds5

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

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone (PubChem CID 56721952) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
PubChem CID56721952
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CC(C)(C)N(C)C[C@@H]3C)cnn2c1
InChIInChI=1S/C20H32N6O/c1-7-24(8-2)12-16-9-21-18-17(10-22-26(18)13-16)19(27)25-14-20(4,5)23(6)11-15(25)3/h9-10,13,15H,7-8,11-12,14H2,1-6H3/t15-/m0/s1
InChIKeyUFDJDYCXXMNTFL-HNNXBMFYSA-N
XLogP2.13
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-ethyl-2,5-dihydropyrrol-1-yl]methanone
CID 95189989
azonan-1-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56711222
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-propylpyrrolidin-1-yl]methanone
CID 95199911
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 56702644
4-azaspiro[2.5]octan-4-yl-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 56712838
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(3-ethylpiperazin-1-yl)methanone
CID 56704782
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 95211626
6-(diethylaminomethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56710203
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 95727070
6-(diethylaminomethyl)-N-methyl-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56758971
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95229392

Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone (CID 56721952) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CC(C)(C)N(C)C[C@@H]3C)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
The InChIKey is UFDJDYCXXMNTFL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-7-24(8-2)12-16-9-21-18-17(10-22-26(18)13-16)19(27)25-14-20(4,5)23(6)11-15(25)3/h9-10,13,15H,7-8,11-12,14H2,1-6H3/t15-/m0/s1.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone has a molecular weight of 372.52 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone is sourced from PubChem (CID 56721952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).