5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one

C24H18N4O — CID 1347889

IUPAC5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)c1
InChIInChI=1S/C24H18N4O/c1-17-9-8-14-20(15-17)27-22(18-10-4-2-5-11-18)26-23-21(24(27)29)16-25-28(23)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyYWXLLWNVTQDKIP-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.55
Rot. Bonds3

About 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one

5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1347889) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1347889
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1cccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)c1
InChIInChI=1S/C24H18N4O/c1-17-9-8-14-20(15-17)27-22(18-10-4-2-5-11-18)26-23-21(24(27)29)16-25-28(23)19-12-6-3-7-13-19/h2-16H,1H3
InChIKeyYWXLLWNVTQDKIP-UHFFFAOYSA-N
XLogP4.55
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one (CID 1347889) is 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one is Cc1cccc(-n2c(-c3ccccc3)nc3c(cnn3-c3ccccc3)c2=O)c1.
What is the InChIKey of 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YWXLLWNVTQDKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-17-9-8-14-20(15-17)27-22(18-10-4-2-5-11-18)26-23-21(24(27)29)16-25-28(23)19-12-6-3-7-13-19/h2-16H,1H3.
What are the key properties of 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 378.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1347889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).