6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H13FN4O2 — CID 137248379

IUPAC6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)ccc1F
InChIInChI=1S/C18H13FN4O2/c1-11-9-13(7-8-15(11)19)25-18-21-16-14(17(24)22-18)10-20-23(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22,24)
InChIKeyRPBBUSYIHNSJLT-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.35
Rot. Bonds3

About 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137248379) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137248379
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)ccc1F
InChIInChI=1S/C18H13FN4O2/c1-11-9-13(7-8-15(11)19)25-18-21-16-14(17(24)22-18)10-20-23(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22,24)
InChIKeyRPBBUSYIHNSJLT-UHFFFAOYSA-N
XLogP3.35
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 137272683
N,N-dimethyl-3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzamide
CID 137258332
propan-2-yl 4-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzoate
CID 137258314
6-(5-bromo-2-chlorophenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258082
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
6-[(3-fluoro-4-methoxyphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258246
6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135463910
6-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272609
6-methyl-1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135444506
6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137266330
5-(4-fluorophenyl)-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 122190733
6-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166217841

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137248379) is 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1cc(Oc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RPBBUSYIHNSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-9-13(7-8-15(11)19)25-18-21-16-14(17(24)22-18)10-20-23(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22,24).
What are the key properties of 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 336.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137248379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).