2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide

C18H10Cl3N5O2 — CID 16811162

IUPAC2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
SMILESO=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H10Cl3N5O2/c19-10-2-1-3-12(6-10)26-16-14(8-23-26)18(28)25(9-22-16)24-17(27)13-5-4-11(20)7-15(13)21/h1-9H,(H,24,27)
InChIKeyYRWNOTFXDXOZCJ-UHFFFAOYSA-N
MW434.67 g/mol
LogP3.93
Rot. Bonds3

About 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide

2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide (PubChem CID 16811162) has the molecular formula C18H10Cl3N5O2 and a molecular weight of 434.67 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
PubChem CID16811162
Molecular FormulaC18H10Cl3N5O2
Molecular Weight434.67 g/mol
Exact Mass432.99
IUPAC Name2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
SMILESO=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H10Cl3N5O2/c19-10-2-1-3-12(6-10)26-16-14(8-23-26)18(28)25(9-22-16)24-17(27)13-5-4-11(20)7-15(13)21/h1-9H,(H,24,27)
InChIKeyYRWNOTFXDXOZCJ-UHFFFAOYSA-N
XLogP3.93
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.67
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804171
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-3-phenylprop-2-enamide
CID 71962451
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804100
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(3-methylphenyl)acetamide
CID 16811181
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-(4-phenylphenyl)acetamide
CID 16811184
N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
CID 16811185
(2R)-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]oxolane-2-carboxamide
CID 41427577
2-chloro-6-fluoro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 16804172
4-chloro-3-nitro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
CID 16804109
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]naphthalene-1-carboxamide
CID 16811207
2-chloro-N-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-5-nitrobenzamide
CID 16804179
1-(3-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243770

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide (CID 16811162) is 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide is O=C(Nn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
The InChIKey is YRWNOTFXDXOZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3N5O2/c19-10-2-1-3-12(6-10)26-16-14(8-23-26)18(28)25(9-22-16)24-17(27)13-5-4-11(20)7-15(13)21/h1-9H,(H,24,27).
What are the key properties of 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide?
2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide has a molecular weight of 434.67 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 16811162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).