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

C16H10FN5O2S — CID 16804219

IUPACN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccs1
InChIInChI=1S/C16H10FN5O2S/c17-10-3-5-11(6-4-10)22-14-12(8-19-22)16(24)21(9-18-14)20-15(23)13-2-1-7-25-13/h1-9H,(H,20,23)
InChIKeyCXENICCTBHRVCC-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.17
Rot. Bonds3

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

N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 16804219) has the molecular formula C16H10FN5O2S and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID16804219
Molecular FormulaC16H10FN5O2S
Molecular Weight355.35 g/mol
Exact Mass355.05
IUPAC NameN-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESO=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccs1
InChIInChI=1S/C16H10FN5O2S/c17-10-3-5-11(6-4-10)22-14-12(8-19-22)16(24)21(9-18-14)20-15(23)13-2-1-7-25-13/h1-9H,(H,20,23)
InChIKeyCXENICCTBHRVCC-UHFFFAOYSA-N
XLogP2.17
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide (CID 16804219) is N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide is O=C(Nn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)c1cccs1.
What is the InChIKey of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is CXENICCTBHRVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2S/c17-10-3-5-11(6-4-10)22-14-12(8-19-22)16(24)21(9-18-14)20-15(23)13-2-1-7-25-13/h1-9H,(H,20,23).
What are the key properties of N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide?
N-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.17, 3 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]thiophene-2-carboxamide is sourced from PubChem (CID 16804219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).