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

C18H14FN5O2S — CID 51286491

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3sccc3c2=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN5O2S/c1-11-8-15(24(22-11)13-4-2-12(19)3-5-13)21-16(25)9-23-10-20-17-14(18(23)26)6-7-27-17/h2-8,10H,9H2,1H3,(H,21,25)
InChIKeyCBAHSQIYDMUKAZ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.73
Rot. Bonds4

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

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 51286491) has the molecular formula C18H14FN5O2S and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID51286491
Molecular FormulaC18H14FN5O2S
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3sccc3c2=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H14FN5O2S/c1-11-8-15(24(22-11)13-4-2-12(19)3-5-13)21-16(25)9-23-10-20-17-14(18(23)26)6-7-27-17/h2-8,10H,9H2,1H3,(H,21,25)
InChIKeyCBAHSQIYDMUKAZ-UHFFFAOYSA-N
XLogP2.73
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 51284677
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46427744
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26197720
2-(6-bromo-4-oxoquinazolin-3-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 38916521
N-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 155969947
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594353
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 41162093
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 17410333
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
N-[4-(4-methylphenoxy)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083982

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 51286491) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3sccc3c2=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is CBAHSQIYDMUKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2S/c1-11-8-15(24(22-11)13-4-2-12(19)3-5-13)21-16(25)9-23-10-20-17-14(18(23)26)6-7-27-17/h2-8,10H,9H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 51286491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).