5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H12F2N4O — CID 172673083

IUPAC5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccc(F)cc2F)nc2cc(-c3ccncc3)[nH]n12
InChIInChI=1S/C18H12F2N4O/c19-13-2-1-12(15(20)8-13)7-14-9-18(25)24-17(22-14)10-16(23-24)11-3-5-21-6-4-11/h1-6,8-10,23H,7H2
InChIKeyKZXVLAUPEFDQAH-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.95
Rot. Bonds3

About 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172673083) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172673083
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cc2ccc(F)cc2F)nc2cc(-c3ccncc3)[nH]n12
InChIInChI=1S/C18H12F2N4O/c19-13-2-1-12(15(20)8-13)7-14-9-18(25)24-17(22-14)10-16(23-24)11-3-5-21-6-4-11/h1-6,8-10,23H,7H2
InChIKeyKZXVLAUPEFDQAH-UHFFFAOYSA-N
XLogP2.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172673083) is 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cc2ccc(F)cc2F)nc2cc(-c3ccncc3)[nH]n12.
What is the InChIKey of 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KZXVLAUPEFDQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-13-2-1-12(15(20)8-13)7-14-9-18(25)24-17(22-14)10-16(23-24)11-3-5-21-6-4-11/h1-6,8-10,23H,7H2.
What are the key properties of 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 338.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172673083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).