5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C13H10F2N4O — CID 163355192

IUPAC5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3cc(F)ccc3F)cnc21
InChIInChI=1S/C13H10F2N4O/c1-18-12-10(5-17-18)13(20)19(7-16-12)6-8-4-9(14)2-3-11(8)15/h2-5,7H,6H2,1H3
InChIKeyJOPXPDRXGOMWJY-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.46
Rot. Bonds2

About 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 163355192) has the molecular formula C13H10F2N4O and a molecular weight of 276.25 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID163355192
Molecular FormulaC13H10F2N4O
Molecular Weight276.25 g/mol
Exact Mass276.08
IUPAC Name5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3cc(F)ccc3F)cnc21
InChIInChI=1S/C13H10F2N4O/c1-18-12-10(5-17-18)13(20)19(7-16-12)6-8-4-9(14)2-3-11(8)15/h2-5,7H,6H2,1H3
InChIKeyJOPXPDRXGOMWJY-UHFFFAOYSA-N
XLogP1.46
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 2445448
5-[2-(4-chloroanilino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62566016
N-ethyl-N-(4-fluorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43040078
1-(4-bromophenyl)-5-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 53331496
5-[(3-bromo-4-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17408906
5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559629
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
(4-fluorophenyl)methyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46697021
4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 47053328
(3-fluorophenyl)methyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46684709
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
methyl 1-[(2,5-difluorophenyl)methyl]-6-oxopyrimidine-5-carboxylate
CID 95921264

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 163355192) is 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(Cc3cc(F)ccc3F)cnc21.
What is the InChIKey of 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JOPXPDRXGOMWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O/c1-18-12-10(5-17-18)13(20)19(7-16-12)6-8-4-9(14)2-3-11(8)15/h2-5,7H,6H2,1H3.
What are the key properties of 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 276.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 163355192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).