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

C20H22N4O2 — CID 56597967

IUPAC2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCCN3C(=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/t17-/m0/s1
InChIKeyCTCPZWAYLYIOBO-KRWDZBQOSA-N
MW350.42 g/mol
LogP3.01
Rot. Bonds2

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

2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 56597967) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID56597967
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc([C@@H]3CCCCN3C(=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/t17-/m0/s1
InChIKeyCTCPZWAYLYIOBO-KRWDZBQOSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 56597967) is 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CTCPZWAYLYIOBO-KRWDZBQOSA-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/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[(2S)-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-[(2S)-1-benzoylpiperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56597967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).