6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H16N4O2 — CID 135433200

IUPAC6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(/C=C/c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H16N4O2/c1-26-16-9-5-6-14(12-16)10-11-18-22-19-17(20(25)23-18)13-21-24(19)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23,25)/b11-10+
InChIKeyULTRGZWWFOUMRD-ZHACJKMWSA-N
MW344.37 g/mol
LogP3.29
Rot. Bonds4

About 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135433200) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135433200
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(/C=C/c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C20H16N4O2/c1-26-16-9-5-6-14(12-16)10-11-18-22-19-17(20(25)23-18)13-21-24(19)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23,25)/b11-10+
InChIKeyULTRGZWWFOUMRD-ZHACJKMWSA-N
XLogP3.29
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-(1-Cyclopentyl-4-Oxo-4,7-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)-N-(4-Methoxyphenyl)-D-Alaninamide
CID 135566935
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-[4-(benzyloxy)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869431
5,7-Difluoro-2-propan-2-yl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaen-14-one
CID 155520832
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244187
1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244806
N-(4-methoxyphenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3792007
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
1-(4-Chlorophenyl)-5-(4-ethoxyphenyl)-6-ethyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990634

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135433200) is 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is COc1cccc(/C=C/c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)c1.
What is the InChIKey of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ULTRGZWWFOUMRD-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-16-9-5-6-14(12-16)10-11-18-22-19-17(20(25)23-18)13-21-24(19)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,23,25)/b11-10+.
What are the key properties of 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 344.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(3-methoxyphenyl)ethenyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135433200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).