6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H15FN4O — CID 82273493

IUPAC6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccncc3)c[nH]n2c(=O)c1Cc1ccc(F)cc1
InChIInChI=1S/C19H15FN4O/c1-12-16(10-13-2-4-15(20)5-3-13)19(25)24-18(23-12)17(11-22-24)14-6-8-21-9-7-14/h2-9,11,22H,10H2,1H3
InChIKeyPSBIEMFLUKZFDM-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.12
Rot. Bonds3

About 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273493) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273493
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3ccncc3)c[nH]n2c(=O)c1Cc1ccc(F)cc1
InChIInChI=1S/C19H15FN4O/c1-12-16(10-13-2-4-15(20)5-3-13)19(25)24-18(23-12)17(11-22-24)14-6-8-21-9-7-14/h2-9,11,22H,10H2,1H3
InChIKeyPSBIEMFLUKZFDM-UHFFFAOYSA-N
XLogP3.12
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273493) is 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3ccncc3)c[nH]n2c(=O)c1Cc1ccc(F)cc1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PSBIEMFLUKZFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-12-16(10-13-2-4-15(20)5-3-13)19(25)24-18(23-12)17(11-22-24)14-6-8-21-9-7-14/h2-9,11,22H,10H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 334.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).