1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C20H17ClN4O2 — CID 3244806

IUPAC1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H17ClN4O2/c1-3-18-23-19-17(12-22-25(19)15-6-4-13(21)5-7-15)20(26)24(18)14-8-10-16(27-2)11-9-14/h4-12H,3H2,1-2H3
InChIKeyBAGIORKCDNMTEY-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.80
Rot. Bonds4

About 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3244806) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3244806
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(OC)cc1
InChIInChI=1S/C20H17ClN4O2/c1-3-18-23-19-17(12-22-25(19)15-6-4-13(21)5-7-15)20(26)24(18)14-8-10-16(27-2)11-9-14/h4-12H,3H2,1-2H3
InChIKeyBAGIORKCDNMTEY-UHFFFAOYSA-N
XLogP3.80
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3244806) is 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is CCc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc(OC)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BAGIORKCDNMTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-3-18-23-19-17(12-22-25(19)15-6-4-13(21)5-7-15)20(26)24(18)14-8-10-16(27-2)11-9-14/h4-12H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 380.84 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3244806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).