N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide

C17H12FN5O2S — CID 16804216

IUPACN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H12FN5O2S/c18-11-3-5-12(6-4-11)23-16-14(9-20-23)17(25)22(10-19-16)21-15(24)8-13-2-1-7-26-13/h1-7,9-10H,8H2,(H,21,24)
InChIKeyNMGISADUYRNKOT-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide

N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 16804216) has the molecular formula C17H12FN5O2S and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
PubChem CID16804216
Molecular FormulaC17H12FN5O2S
Molecular Weight369.38 g/mol
Exact Mass369.07
IUPAC NameN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H12FN5O2S/c18-11-3-5-12(6-4-11)23-16-14(9-20-23)17(25)22(10-19-16)21-15(24)8-13-2-1-7-26-13/h1-7,9-10H,8H2,(H,21,24)
InChIKeyNMGISADUYRNKOT-UHFFFAOYSA-N
XLogP2.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide (CID 16804216) is N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is NMGISADUYRNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2S/c18-11-3-5-12(6-4-11)23-16-14(9-20-23)17(25)22(10-19-16)21-15(24)8-13-2-1-7-26-13/h1-7,9-10H,8H2,(H,21,24).
What are the key properties of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide?
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 369.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16804216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).