4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide

C21H13N5O4 — CID 16804139

IUPAC4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H13N5O4/c27-16-10-18(30-17-9-5-4-8-14(16)17)20(28)24-25-12-22-19-15(21(25)29)11-23-26(19)13-6-2-1-3-7-13/h1-12H,(H,24,28)
InChIKeyYPOBNMYFGPGGHV-UHFFFAOYSA-N
MW399.37 g/mol
LogP2.07
Rot. Bonds3

About 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide

4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide (PubChem CID 16804139) has the molecular formula C21H13N5O4 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide
PubChem CID16804139
Molecular FormulaC21H13N5O4
Molecular Weight399.37 g/mol
Exact Mass399.10
IUPAC Name4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H13N5O4/c27-16-10-18(30-17-9-5-4-8-14(16)17)20(28)24-25-12-22-19-15(21(25)29)11-23-26(19)13-6-2-1-3-7-13/h1-12H,(H,24,28)
InChIKeyYPOBNMYFGPGGHV-UHFFFAOYSA-N
XLogP2.07
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide (CID 16804139) is 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide is O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide?
The InChIKey is YPOBNMYFGPGGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O4/c27-16-10-18(30-17-9-5-4-8-14(16)17)20(28)24-25-12-22-19-15(21(25)29)11-23-26(19)13-6-2-1-3-7-13/h1-12H,(H,24,28).
What are the key properties of 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide?
4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)chromene-2-carboxamide is sourced from PubChem (CID 16804139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).