6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one

C14H13FN4O — CID 39892488

IUPAC6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(Cc3ccccc3F)cnc12
InChIInChI=1S/C14H13FN4O/c1-9-12-13(18(2)17-9)14(20)19(8-16-12)7-10-5-3-4-6-11(10)15/h3-6,8H,7H2,1-2H3
InChIKeyKKBKDIIGZFCTAC-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.63
Rot. Bonds2

About 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one

6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 39892488) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
PubChem CID39892488
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one
SMILESCc1nn(C)c2c(=O)n(Cc3ccccc3F)cnc12
InChIInChI=1S/C14H13FN4O/c1-9-12-13(18(2)17-9)14(20)19(8-16-12)7-10-5-3-4-6-11(10)15/h3-6,8H,7H2,1-2H3
InChIKeyKKBKDIIGZFCTAC-UHFFFAOYSA-N
XLogP1.63
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114583259
3-[(2-fluorophenyl)methyl]-6,8-diiodoquinazolin-4-one
CID 3497178
6-chloro-3-[(2-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 114585464
5-[(2-fluorophenyl)methyl]-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 40683073
2-[3-[(2-fluorophenyl)methyl]-5-methylimidazol-4-yl]acetic acid
CID 82480142
6-chloro-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 114582406
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
3-[(2-fluorophenyl)methyl]-6-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-one
CID 20869492
3-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102858170
methyl 3-[(2-fluorophenyl)methyl]-4-oxoquinazoline-7-carboxylate
CID 59842874
2-ethyl-7-[(2-fluorophenyl)methyl]-1H-purin-6-one
CID 135708894
5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 2792360

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one (CID 39892488) is 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one is Cc1nn(C)c2c(=O)n(Cc3ccccc3F)cnc12.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is KKBKDIIGZFCTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-9-12-13(18(2)17-9)14(20)19(8-16-12)7-10-5-3-4-6-11(10)15/h3-6,8H,7H2,1-2H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one?
6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 272.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 39892488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).