2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide

C20H16F2N6O2 — CID 7476293

IUPAC2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3F)c2=O)c1C
InChIInChI=1S/C20H16F2N6O2/c1-11-4-3-5-15(12(11)2)24-17(29)9-27-10-23-19-18(20(27)30)25-26-28(19)16-7-6-13(21)8-14(16)22/h3-8,10H,9H2,1-2H3,(H,24,29)
InChIKeyVCHFKTCFKPAWSJ-UHFFFAOYSA-N
MW410.38 g/mol
LogP2.51
Rot. Bonds4

About 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide

2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 7476293) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID7476293
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3F)c2=O)c1C
InChIInChI=1S/C20H16F2N6O2/c1-11-4-3-5-15(12(11)2)24-17(29)9-27-10-23-19-18(20(27)30)25-26-28(19)16-7-6-13(21)8-14(16)22/h3-8,10H,9H2,1-2H3,(H,24,29)
InChIKeyVCHFKTCFKPAWSJ-UHFFFAOYSA-N
XLogP2.51
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869601
N-(2,3-dimethylphenyl)-2-[3-(4-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869729
N-(2,5-dimethylphenyl)-2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7475922
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
3-(2,4-difluorophenyl)-6-(2-oxo-2-pyrrolidin-1-ylethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7476284
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869541
N-(2-ethoxyphenyl)-2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7475935
3-(2,4-difluorophenyl)-6-(2-oxo-2-piperidin-1-ylethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7476285
2-[3-(3,5-dimethylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide
CID 7476478
N-(2,4-difluorophenyl)-2-[3-[(2-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869467
2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2-methylphenyl)acetamide
CID 20869414
N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869538

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide (CID 7476293) is 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)Cn2cnc3c(nnn3-c3ccc(F)cc3F)c2=O)c1C.
What is the InChIKey of 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is VCHFKTCFKPAWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c1-11-4-3-5-15(12(11)2)24-17(29)9-27-10-23-19-18(20(27)30)25-26-28(19)16-7-6-13(21)8-14(16)22/h3-8,10H,9H2,1-2H3,(H,24,29).
What are the key properties of 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 410.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-difluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 7476293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).