5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C23H17FN4O2 — CID 20853931

IUPAC5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)cc1F
InChIInChI=1S/C23H17FN4O2/c1-14-9-10-16(12-18(14)24)27-22(20-8-5-11-30-20)26-21-17(23(27)29)13-25-28(21)19-7-4-3-6-15(19)2/h3-13H,1-2H3
InChIKeyGWVDIUPFQJMXPD-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.59
Rot. Bonds3

About 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 20853931) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID20853931
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)cc1F
InChIInChI=1S/C23H17FN4O2/c1-14-9-10-16(12-18(14)24)27-22(20-8-5-11-30-20)26-21-17(23(27)29)13-25-28(21)19-7-4-3-6-15(19)2/h3-13H,1-2H3
InChIKeyGWVDIUPFQJMXPD-UHFFFAOYSA-N
XLogP4.59
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 20853931) is 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GWVDIUPFQJMXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-14-9-10-16(12-18(14)24)27-22(20-8-5-11-30-20)26-21-17(23(27)29)13-25-28(21)19-7-4-3-6-15(19)2/h3-13H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 400.41 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-6-(furan-2-yl)-1-(2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 20853931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).