N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide

C25H15F3N4OS — CID 42607018

IUPACN-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ncnc3sccc23)ccc1-c1ccncc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H15F3N4OS/c26-25(27,28)18-3-1-2-17(12-18)23(33)32-21-13-16(4-5-19(21)15-6-9-29-10-7-15)22-20-8-11-34-24(20)31-14-30-22/h1-14H,(H,32,33)
InChIKeyJVSPWLCGDIQWFY-UHFFFAOYSA-N
MW476.48 g/mol
LogP6.69
Rot. Bonds4

About N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide

N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 42607018) has the molecular formula C25H15F3N4OS and a molecular weight of 476.48 g/mol. Its IUPAC name is N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID42607018
Molecular FormulaC25H15F3N4OS
Molecular Weight476.48 g/mol
Exact Mass476.09
IUPAC NameN-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2ncnc3sccc23)ccc1-c1ccncc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H15F3N4OS/c26-25(27,28)18-3-1-2-17(12-18)23(33)32-21-13-16(4-5-19(21)15-6-9-29-10-7-15)22-20-8-11-34-24(20)31-14-30-22/h1-14H,(H,32,33)
InChIKeyJVSPWLCGDIQWFY-UHFFFAOYSA-N
XLogP6.69
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.48
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-ethylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 68861935
N-[3-[6-(4-cyanophenyl)thieno[2,3-d]pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154057735
4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622218
N-[3-[7-(pyridin-4-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 154057727
3-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 24592722
3-(1,3-thiazol-2-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]-1,2-oxazole-4-carboxylic acid
CID 142773911
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-[2-bromo-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149635
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
N-(2-hydroxyphenyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673564
N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
CID 70860526
N-[5-(5-isocyano-6-pyridin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 153425490

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide (CID 42607018) is N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2ncnc3sccc23)ccc1-c1ccncc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is JVSPWLCGDIQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N4OS/c26-25(27,28)18-3-1-2-17(12-18)23(33)32-21-13-16(4-5-19(21)15-6-9-29-10-7-15)22-20-8-11-34-24(20)31-14-30-22/h1-14H,(H,32,33).
What are the key properties of N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide?
N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 476.48 g/mol, XLogP of 6.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-yl-5-thieno[2,3-d]pyrimidin-4-ylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42607018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).