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

C22H24N4O3 — CID 172663122

IUPAC5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(C1CCCO1)N1CCC(c2cc(=O)n3[nH]c(-c4ccccc4)cc3n2)CC1
InChIInChI=1S/C22H24N4O3/c27-21-14-17(16-8-10-25(11-9-16)22(28)19-7-4-12-29-19)23-20-13-18(24-26(20)21)15-5-2-1-3-6-15/h1-3,5-6,13-14,16,19,24H,4,7-12H2
InChIKeyVPBPAUMUIFZLKY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.57
Rot. Bonds3

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

5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172663122) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172663122
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=C(C1CCCO1)N1CCC(c2cc(=O)n3[nH]c(-c4ccccc4)cc3n2)CC1
InChIInChI=1S/C22H24N4O3/c27-21-14-17(16-8-10-25(11-9-16)22(28)19-7-4-12-29-19)23-20-13-18(24-26(20)21)15-5-2-1-3-6-15/h1-3,5-6,13-14,16,19,24H,4,7-12H2
InChIKeyVPBPAUMUIFZLKY-UHFFFAOYSA-N
XLogP2.57
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.57
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
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
N-(3-chlorophenyl)-4-[2-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbothioamide
CID 46253386
2-(5-methylpyrazin-2-yl)-4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136874984
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
[4-[4-[(4-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92616961
[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575246
N-(4-methyl-6-phenylpyrimidin-2-yl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 157018089
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172663122) is 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=C(C1CCCO1)N1CCC(c2cc(=O)n3[nH]c(-c4ccccc4)cc3n2)CC1.
What is the InChIKey of 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VPBPAUMUIFZLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c27-21-14-17(16-8-10-25(11-9-16)22(28)19-7-4-12-29-19)23-20-13-18(24-26(20)21)15-5-2-1-3-6-15/h1-3,5-6,13-14,16,19,24H,4,7-12H2.
What are the key properties of 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 392.46 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxolane-2-carbonyl)piperidin-4-yl]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172663122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).