N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

C21H16FN7O3S — CID 19614336

IUPACN-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1cc2c(=O)n(NC(=O)Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)c(C)nc2s1
InChIInChI=1S/C21H16FN7O3S/c1-11-7-15-19(33-11)25-12(2)28(21(15)32)26-17(30)9-27-10-23-18-16(20(27)31)8-24-29(18)14-5-3-13(22)4-6-14/h3-8,10H,9H2,1-2H3,(H,26,30)
InChIKeyIJQCRFNKRPYKFH-UHFFFAOYSA-N
MW465.47 g/mol
LogP1.88
Rot. Bonds4

About N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 19614336) has the molecular formula C21H16FN7O3S and a molecular weight of 465.47 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID19614336
Molecular FormulaC21H16FN7O3S
Molecular Weight465.47 g/mol
Exact Mass465.10
IUPAC NameN-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESCc1cc2c(=O)n(NC(=O)Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)c(C)nc2s1
InChIInChI=1S/C21H16FN7O3S/c1-11-7-15-19(33-11)25-12(2)28(21(15)32)26-17(30)9-27-10-23-18-16(20(27)31)8-24-29(18)14-5-3-13(22)4-6-14/h3-8,10H,9H2,1-2H3,(H,26,30)
InChIKeyIJQCRFNKRPYKFH-UHFFFAOYSA-N
XLogP1.88
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7118567
2-[1-(4-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 16798492
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4770628
2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 1432829
5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
N-tert-butyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433697
N-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 16883143
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433650
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 42525032
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 30693258
5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 78622929

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 19614336) is N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is Cc1cc2c(=O)n(NC(=O)Cn3cnc4c(cnn4-c4ccc(F)cc4)c3=O)c(C)nc2s1.
What is the InChIKey of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is IJQCRFNKRPYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O3S/c1-11-7-15-19(33-11)25-12(2)28(21(15)32)26-17(30)9-27-10-23-18-16(20(27)31)8-24-29(18)14-5-3-13(22)4-6-14/h3-8,10H,9H2,1-2H3,(H,26,30).
What are the key properties of N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 465.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 19614336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).