2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H24N4O3 — CID 110132890

IUPAC2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(C(=O)C4CCCCO4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H24N4O3/c1-12-10-16-19-14(11-17(23)22(16)20-12)13-5-7-21(8-6-13)18(24)15-4-2-3-9-25-15/h10-11,13,15,20H,2-9H2,1H3
InChIKeyMSTNUUMLJKUZAF-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132890) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132890
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C3CCN(C(=O)C4CCCCO4)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H24N4O3/c1-12-10-16-19-14(11-17(23)22(16)20-12)13-5-7-21(8-6-13)18(24)15-4-2-3-9-25-15/h10-11,13,15,20H,2-9H2,1H3
InChIKeyMSTNUUMLJKUZAF-UHFFFAOYSA-N
XLogP1.61
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172663122
[4-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
CID 124999857
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92616961
2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125015027
2-tert-butyl-5-[1-[3-(oxolan-2-yl)propanoyl]pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216215
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132625
5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132632
1,3-dimethyl-7-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 92631662
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132890) is 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C3CCN(C(=O)C4CCCCO4)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MSTNUUMLJKUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-10-16-19-14(11-17(23)22(16)20-12)13-5-7-21(8-6-13)18(24)15-4-2-3-9-25-15/h10-11,13,15,20H,2-9H2,1H3.
What are the key properties of 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 344.42 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).