6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H26N4O2 — CID 110214668

IUPAC6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCN(C(=O)C(C)C)C3)[nH]n2c1=O
InChIInChI=1S/C18H26N4O2/c1-5-14-12(4)19-16-9-15(20-22(16)18(14)24)13-7-6-8-21(10-13)17(23)11(2)3/h9,11,13,20H,5-8,10H2,1-4H3
InChIKeyRJRYLMJRBBKJJB-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.26
Rot. Bonds3

About 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110214668) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110214668
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCCN(C(=O)C(C)C)C3)[nH]n2c1=O
InChIInChI=1S/C18H26N4O2/c1-5-14-12(4)19-16-9-15(20-22(16)18(14)24)13-7-6-8-21(10-13)17(23)11(2)3/h9,11,13,20H,5-8,10H2,1-4H3
InChIKeyRJRYLMJRBBKJJB-UHFFFAOYSA-N
XLogP2.26
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(dimethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214681
6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215111
6-ethyl-5-methyl-2-[1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214677
5-[(3S)-1-[(2R)-2-methylbutanoyl]piperidin-3-yl]-11-(2-methylpropanoyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98080258
6-ethyl-5-methyl-2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061775
5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110259276
5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-11-(2-methylpropanoyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 110227246
5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-11-(2-methylpropanoyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92553141
3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 110091516
5-[(3S)-1-[(2S)-2-methylbutanoyl]piperidin-3-yl]-11-propan-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92585719
5,6-dimethyl-2-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214558
3-[2-[(3R)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 124986576

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110214668) is 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCCN(C(=O)C(C)C)C3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RJRYLMJRBBKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-14-12(4)19-16-9-15(20-22(16)18(14)24)13-7-6-8-21(10-13)17(23)11(2)3/h9,11,13,20H,5-8,10H2,1-4H3.
What are the key properties of 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 330.43 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110214668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).