5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C18H12Cl2N4O — CID 7679714

IUPAC5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2N4O/c19-15-7-4-8-16(20)14(15)10-23-11-21-17-13(18(23)25)9-22-24(17)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyYNFIYYLYTPFKDY-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.94
Rot. Bonds3

About 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7679714) has the molecular formula C18H12Cl2N4O and a molecular weight of 371.23 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7679714
Molecular FormulaC18H12Cl2N4O
Molecular Weight371.23 g/mol
Exact Mass370.04
IUPAC Name5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl2N4O/c19-15-7-4-8-16(20)14(15)10-23-11-21-17-13(18(23)25)9-22-24(17)12-5-2-1-3-6-12/h1-9,11H,10H2
InChIKeyYNFIYYLYTPFKDY-UHFFFAOYSA-N
XLogP3.94
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 7679714) is 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YNFIYYLYTPFKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O/c19-15-7-4-8-16(20)14(15)10-23-11-21-17-13(18(23)25)9-22-24(17)12-5-2-1-3-6-12/h1-9,11H,10H2.
What are the key properties of 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 371.23 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7679714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).