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

C22H15ClN4O3 — CID 15990633

IUPAC1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C22H15ClN4O3/c1-29-17-10-8-15(9-11-17)26-21(19-3-2-12-30-19)25-20-18(22(26)28)13-24-27(20)16-6-4-14(23)5-7-16/h2-13H,1H3
InChIKeyYMMHHQAJQVMUKV-UHFFFAOYSA-N
MW418.84 g/mol
LogP4.49
Rot. Bonds4

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

1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15990633) has the molecular formula C22H15ClN4O3 and a molecular weight of 418.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15990633
Molecular FormulaC22H15ClN4O3
Molecular Weight418.84 g/mol
Exact Mass418.08
IUPAC Name1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C22H15ClN4O3/c1-29-17-10-8-15(9-11-17)26-21(19-3-2-12-30-19)25-20-18(22(26)28)13-24-27(20)16-6-4-14(23)5-7-16/h2-13H,1H3
InChIKeyYMMHHQAJQVMUKV-UHFFFAOYSA-N
XLogP4.49
TPSA75.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 15990633) is 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YMMHHQAJQVMUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O3/c1-29-17-10-8-15(9-11-17)26-21(19-3-2-12-30-19)25-20-18(22(26)28)13-24-27(20)16-6-4-14(23)5-7-16/h2-13H,1H3.
What are the key properties of 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 418.84 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-(furan-2-yl)-5-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15990633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).