2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide

C18H11ClFN5O2 — CID 16804100

IUPAC2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H11ClFN5O2/c19-13-7-4-8-14(20)15(13)17(26)23-24-10-21-16-12(18(24)27)9-22-25(16)11-5-2-1-3-6-11/h1-10H,(H,23,26)
InChIKeyGPDJDSNFWUDVBG-UHFFFAOYSA-N
MW383.77 g/mol
LogP2.76
Rot. Bonds3

About 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide

2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide (PubChem CID 16804100) has the molecular formula C18H11ClFN5O2 and a molecular weight of 383.77 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
PubChem CID16804100
Molecular FormulaC18H11ClFN5O2
Molecular Weight383.77 g/mol
Exact Mass383.06
IUPAC Name2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1c(F)cccc1Cl
InChIInChI=1S/C18H11ClFN5O2/c19-13-7-4-8-14(20)15(13)17(26)23-24-10-21-16-12(18(24)27)9-22-25(16)11-5-2-1-3-6-11/h1-10H,(H,23,26)
InChIKeyGPDJDSNFWUDVBG-UHFFFAOYSA-N
XLogP2.76
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide (CID 16804100) is 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide is O=C(Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
The InChIKey is GPDJDSNFWUDVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O2/c19-13-7-4-8-14(20)15(13)17(26)23-24-10-21-16-12(18(24)27)9-22-25(16)11-5-2-1-3-6-11/h1-10H,(H,23,26).
What are the key properties of 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide?
2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide has a molecular weight of 383.77 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 16804100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).