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

C23H18N4O2 — CID 15990610

IUPAC6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)c1
InChIInChI=1S/C23H18N4O2/c1-15-7-5-9-17(13-15)26-22(20-11-6-12-29-20)25-21-18(23(26)28)14-24-27(21)19-10-4-3-8-16(19)2/h3-14H,1-2H3
InChIKeyFVIKBPBVDXXONV-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.45
Rot. Bonds3

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

6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15990610) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15990610
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)c1
InChIInChI=1S/C23H18N4O2/c1-15-7-5-9-17(13-15)26-22(20-11-6-12-29-20)25-21-18(23(26)28)14-24-27(21)19-10-4-3-8-16(19)2/h3-14H,1-2H3
InChIKeyFVIKBPBVDXXONV-UHFFFAOYSA-N
XLogP4.45
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 15990610) is 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3C)c2=O)c1.
What is the InChIKey of 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FVIKBPBVDXXONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15-7-5-9-17(13-15)26-22(20-11-6-12-29-20)25-21-18(23(26)28)14-24-27(21)19-10-4-3-8-16(19)2/h3-14H,1-2H3.
What are the key properties of 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 382.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-(2-methylphenyl)-5-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15990610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).