6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C23H18N4O3 — CID 15990607

IUPAC6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)cc1
InChIInChI=1S/C23H18N4O3/c1-15-6-3-4-7-19(15)27-21-18(14-24-27)23(28)26(16-9-11-17(29-2)12-10-16)22(25-21)20-8-5-13-30-20/h3-14H,1-2H3
InChIKeyXKZQTWXTWIWWFK-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.15
Rot. Bonds4

About 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15990607) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15990607
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)cc1
InChIInChI=1S/C23H18N4O3/c1-15-6-3-4-7-19(15)27-21-18(14-24-27)23(28)26(16-9-11-17(29-2)12-10-16)22(25-21)20-8-5-13-30-20/h3-14H,1-2H3
InChIKeyXKZQTWXTWIWWFK-UHFFFAOYSA-N
XLogP4.15
TPSA75.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-furylmethyl)-5-[(4-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxamide
CID 1037536
6-(2-Furyl)-1,5-bis(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 9550876
1-(4-Chlorophenyl)-6-(furan-2-YL)-5-(3-methoxyphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990617
6-(Furan-2-YL)-5-(3-methoxyphenyl)-1-(4-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990657
6-(2-furyl)-5-(3-methoxyphenyl)-1-(2-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990894
N-Furan-2-ylmethyl-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 646968
5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
N-[2-phenyl-4-(piperidine-1-carbonyl)pyrazol-3-yl]furan-2-carboxamide
CID 1067684
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
5-[(Furan-2-carbonyl)-amino]-1-phenyl-1H-pyrazole-4-carboxylic acid naphthalen-1-ylamide
CID 1284327
N-[4-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-2-furamide
CID 2213981
2-(1-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(furan-2-ylmethyl)acetamide
CID 5310133

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 15990607) is 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)cc1.
What is the InChIKey of 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XKZQTWXTWIWWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-15-6-3-4-7-19(15)27-21-18(14-24-27)23(28)26(16-9-11-17(29-2)12-10-16)22(25-21)20-8-5-13-30-20/h3-14H,1-2H3.
What are the key properties of 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 398.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-(4-methoxyphenyl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15990607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).