2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H23FN4O2 — CID 110216089

IUPAC2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]n2c(=O)c1C
InChIInChI=1S/C21H23FN4O2/c1-13-14(2)23-19-12-17(24-26(19)21(13)28)18-5-3-4-10-25(18)20(27)11-15-6-8-16(22)9-7-15/h6-9,12,18,24H,3-5,10-11H2,1-2H3
InChIKeyCIOCDHYMGVSMNM-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.07
Rot. Bonds3

About 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110216089) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110216089
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]n2c(=O)c1C
InChIInChI=1S/C21H23FN4O2/c1-13-14(2)23-19-12-17(24-26(19)21(13)28)18-5-3-4-10-25(18)20(27)11-15-6-8-16(22)9-7-15/h6-9,12,18,24H,3-5,10-11H2,1-2H3
InChIKeyCIOCDHYMGVSMNM-UHFFFAOYSA-N
XLogP3.07
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110216089) is 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCCCN3C(=O)Cc3ccc(F)cc3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CIOCDHYMGVSMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-14(2)23-19-12-17(24-26(19)21(13)28)18-5-3-4-10-25(18)20(27)11-15-6-8-16(22)9-7-15/h6-9,12,18,24H,3-5,10-11H2,1-2H3.
What are the key properties of 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 382.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110216089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).