6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H14F2N4O2 — CID 135463910

IUPAC6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C=Cc2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H14F2N4O2/c21-20(22)28-15-9-6-13(7-10-15)8-11-17-24-18-16(19(27)25-17)12-23-26(18)14-4-2-1-3-5-14/h1-12,20H,(H,24,25,27)
InChIKeyVHARRHXYVHMWPX-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.88
Rot. Bonds5

About 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135463910) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135463910
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C=Cc2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H14F2N4O2/c21-20(22)28-15-9-6-13(7-10-15)8-11-17-24-18-16(19(27)25-17)12-23-26(18)14-4-2-1-3-5-14/h1-12,20H,(H,24,25,27)
InChIKeyVHARRHXYVHMWPX-UHFFFAOYSA-N
XLogP3.88
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
2-[4-(difluoromethoxy)phenyl]-1,2,4-triazine-3,5-dione
CID 134119934
propan-2-yl 4-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)oxy]benzoate
CID 137258314
6-(4-fluoro-3-methylphenoxy)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137248379
1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-[[(4-fluorophenyl)-phenylmethyl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274805
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
6-butan-2-ylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135468804
1-phenyl-6-[3-(2,2,2-trifluoroethoxy)anilino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258316
ethyl (2R)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanoate
CID 136801862
(2S)-N-(4-methoxyphenyl)-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]propanamide
CID 135954460
6-[methyl(phenylmethoxy)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137276018

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135463910) is 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(C=Cc2ccc(OC(F)F)cc2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VHARRHXYVHMWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c21-20(22)28-15-9-6-13(7-10-15)8-11-17-24-18-16(19(27)25-17)12-23-26(18)14-4-2-1-3-5-14/h1-12,20H,(H,24,25,27).
What are the key properties of 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 380.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(difluoromethoxy)phenyl]ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135463910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).