5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H21FN4O — CID 56882485

IUPAC5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCCCC3c3cccc(F)c3)cc(=O)n2[nH]1
InChIInChI=1S/C19H21FN4O/c1-13-9-18-21-16(11-19(25)24(18)22-13)12-23-8-3-2-7-17(23)14-5-4-6-15(20)10-14/h4-6,9-11,17,22H,2-3,7-8,12H2,1H3
InChIKeyBDNDHCGKYICYPX-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.20
Rot. Bonds3

About 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 56882485) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID56882485
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCCCC3c3cccc(F)c3)cc(=O)n2[nH]1
InChIInChI=1S/C19H21FN4O/c1-13-9-18-21-16(11-19(25)24(18)22-13)12-23-8-3-2-7-17(23)14-5-4-6-15(20)10-14/h4-6,9-11,17,22H,2-3,7-8,12H2,1H3
InChIKeyBDNDHCGKYICYPX-UHFFFAOYSA-N
XLogP3.20
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 56882485) is 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN3CCCCC3c3cccc(F)c3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BDNDHCGKYICYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-9-18-21-16(11-19(25)24(18)22-13)12-23-8-3-2-7-17(23)14-5-4-6-15(20)10-14/h4-6,9-11,17,22H,2-3,7-8,12H2,1H3.
What are the key properties of 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 340.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56882485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).