N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide

C20H16FN5O2S — CID 135881073

IUPACN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide
SMILESCc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2)[nH]c(=O)c1C
InChIInChI=1S/C20H16FN5O2S/c1-11-12(2)22-20(24-18(11)27)26-17(10-15(25-26)16-4-3-9-29-16)23-19(28)13-5-7-14(21)8-6-13/h3-10H,1-2H3,(H,23,28)(H,22,24,27)
InChIKeyVGBBBQFHTWYIPT-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.69
Rot. Bonds4

About N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide

N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide (PubChem CID 135881073) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide
PubChem CID135881073
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC NameN-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide
SMILESCc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2)[nH]c(=O)c1C
InChIInChI=1S/C20H16FN5O2S/c1-11-12(2)22-20(24-18(11)27)26-17(10-15(25-26)16-4-3-9-29-16)23-19(28)13-5-7-14(21)8-6-13/h3-10H,1-2H3,(H,23,28)(H,22,24,27)
InChIKeyVGBBBQFHTWYIPT-UHFFFAOYSA-N
XLogP3.69
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide 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-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide (CID 135881073) is N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide is Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)c2ccc(F)cc2)[nH]c(=O)c1C.
What is the InChIKey of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide?
The InChIKey is VGBBBQFHTWYIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-11-12(2)22-20(24-18(11)27)26-17(10-15(25-26)16-4-3-9-29-16)23-19(28)13-5-7-14(21)8-6-13/h3-10H,1-2H3,(H,23,28)(H,22,24,27).
What are the key properties of N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide?
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide has a molecular weight of 409.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 135881073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).