2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H22N4O2 — CID 123507904

IUPAC2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C20H22N4O2/c1-13-14(2)21-18-12-16(22-24(18)19(13)25)17-10-6-7-11-23(17)20(26)15-8-4-3-5-9-15/h3-5,8-9,12,17,22H,6-7,10-11H2,1-2H3
InChIKeyCTCPZWAYLYIOBO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.01
Rot. Bonds2

About 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 123507904) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID123507904
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)c3ccccc3)[nH]n2c(=O)c1C
InChIInChI=1S/C20H22N4O2/c1-13-14(2)21-18-12-16(22-24(18)19(13)25)17-10-6-7-11-23(17)20(26)15-8-4-3-5-9-15/h3-5,8-9,12,17,22H,6-7,10-11H2,1-2H3
InChIKeyCTCPZWAYLYIOBO-UHFFFAOYSA-N
XLogP3.01
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(2-aminobenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029868
5,6-dimethyl-2-[(2S)-1-[2-(methylamino)benzoyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029804
benzyl 2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 130205460
5,6-dimethyl-2-(1-phenacylpiperidin-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130193018
2-[(2S)-1-(2-amino-6-methylbenzoyl)piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 58029346
2-[1-(furan-2-carbonyl)pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214716
6-fluoro-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216142
5,6-dimethyl-2-[1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214727
5,6-dimethyl-2-[1-(oxolane-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216099
6-ethyl-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216122
5,6-dimethyl-2-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214720
2-[2-[2-(5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 110214741

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 123507904) is 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCCN3C(=O)c3ccccc3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CTCPZWAYLYIOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-14(2)21-18-12-16(22-24(18)19(13)25)17-10-6-7-11-23(17)20(26)15-8-4-3-5-9-15/h3-5,8-9,12,17,22H,6-7,10-11H2,1-2H3.
What are the key properties of 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 350.42 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-2-yl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 123507904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).