N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide

C24H16N4O2S — CID 44590563

IUPACN-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C24H16N4O2S/c29-22(21-10-5-13-31-21)19-15-26-28-20(11-12-25-23(19)28)16-6-4-7-17(14-16)24(30)27-18-8-2-1-3-9-18/h1-15H,(H,27,30)
InChIKeyQBYMCHSETXFFHK-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.94
Rot. Bonds5

About N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide

N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide (PubChem CID 44590563) has the molecular formula C24H16N4O2S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
PubChem CID44590563
Molecular FormulaC24H16N4O2S
Molecular Weight424.49 g/mol
Exact Mass424.10
IUPAC NameN-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C24H16N4O2S/c29-22(21-10-5-13-31-21)19-15-26-28-20(11-12-25-23(19)28)16-6-4-7-17(14-16)24(30)27-18-8-2-1-3-9-18/h1-15H,(H,27,30)
InChIKeyQBYMCHSETXFFHK-UHFFFAOYSA-N
XLogP4.94
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide 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-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The IUPAC name of N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide (CID 44590563) is N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide is O=C(Nc1ccccc1)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
The InChIKey is QBYMCHSETXFFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O2S/c29-22(21-10-5-13-31-21)19-15-26-28-20(11-12-25-23(19)28)16-6-4-7-17(14-16)24(30)27-18-8-2-1-3-9-18/h1-15H,(H,27,30).
What are the key properties of N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide?
N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide has a molecular weight of 424.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 44590563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).