5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H25N5O2 — CID 98311934

IUPAC5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1Cc1cc(=O)n2[nH]c(C)cc2n1
InChIInChI=1S/C17H25N5O2/c1-4-5-6-14-17(24)20(3)7-8-21(14)11-13-10-16(23)22-15(18-13)9-12(2)19-22/h9-10,14,19H,4-8,11H2,1-3H3/t14-/m0/s1
InChIKeyYDANBKUVZOHMGV-AWEZNQCLSA-N
MW331.42 g/mol
LogP1.16
Rot. Bonds5

About 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98311934) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98311934
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCC[C@H]1C(=O)N(C)CCN1Cc1cc(=O)n2[nH]c(C)cc2n1
InChIInChI=1S/C17H25N5O2/c1-4-5-6-14-17(24)20(3)7-8-21(14)11-13-10-16(23)22-15(18-13)9-12(2)19-22/h9-10,14,19H,4-8,11H2,1-3H3/t14-/m0/s1
InChIKeyYDANBKUVZOHMGV-AWEZNQCLSA-N
XLogP1.16
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1S)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 95896871
3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one
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5-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133123844
2-methyl-5-[[(2S)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
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2-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 91841450
5-[[(1R,5R)-3-(cyclobutanecarbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 72886760
(6S)-1,10-dimethyl-4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97116400
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
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2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
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2-methyl-5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
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2-[4-[(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 91836216
5-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135103268

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98311934) is 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCC[C@H]1C(=O)N(C)CCN1Cc1cc(=O)n2[nH]c(C)cc2n1.
What is the InChIKey of 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YDANBKUVZOHMGV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-5-6-14-17(24)20(3)7-8-21(14)11-13-10-16(23)22-15(18-13)9-12(2)19-22/h9-10,14,19H,4-8,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 331.42 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-butyl-4-methyl-3-oxopiperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98311934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).