2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

C25H20FN5O2S — CID 16606754

IUPAC2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H20FN5O2S/c26-19-8-6-18(7-9-19)21-15-34-24-23(21)25(33)30(16-28-24)14-22(32)27-11-10-17-12-29-31(13-17)20-4-2-1-3-5-20/h1-9,12-13,15-16H,10-11,14H2,(H,27,32)
InChIKeyCHZVNOKAPMNBJA-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.81
Rot. Bonds7

About 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide

2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (PubChem CID 16606754) has the molecular formula C25H20FN5O2S and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
PubChem CID16606754
Molecular FormulaC25H20FN5O2S
Molecular Weight473.53 g/mol
Exact Mass473.13
IUPAC Name2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
SMILESO=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H20FN5O2S/c26-19-8-6-18(7-9-19)21-15-34-24-23(21)25(33)30(16-28-24)14-22(32)27-11-10-17-12-29-31(13-17)20-4-2-1-3-5-20/h1-9,12-13,15-16H,10-11,14H2,(H,27,32)
InChIKeyCHZVNOKAPMNBJA-UHFFFAOYSA-N
XLogP3.81
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3-phenylpropyl)acetamide
CID 27647186
N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 18195144
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylpropyl)acetamide
CID 7732058
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4809075
N-benzyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7672416
N-(2-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40913818
2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
CID 40824148
N-benzyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-methylacetamide
CID 7729488
N-[2-(4-methylphenyl)sulfanylethyl]-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33198151
N-(4-bromophenyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40824039
N-benzyl-N-ethyl-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 32789194
N-[2,6-di(propan-2-yl)phenyl]-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 26675629

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide (CID 16606754) is 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)NCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is CHZVNOKAPMNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2S/c26-19-8-6-18(7-9-19)21-15-34-24-23(21)25(33)30(16-28-24)14-22(32)27-11-10-17-12-29-31(13-17)20-4-2-1-3-5-20/h1-9,12-13,15-16H,10-11,14H2,(H,27,32).
What are the key properties of 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide?
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 16606754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).