4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C27H19F3N4OS — CID 146622218

IUPAC4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2ccncc2)nc2sccc12
InChIInChI=1S/C27H19F3N4OS/c1-16-5-6-18(25(35)32-20-4-2-3-19(14-20)27(28,29)30)13-22(16)33-24-15-23(17-7-10-31-11-8-17)34-26-21(24)9-12-36-26/h2-15H,1H3,(H,32,35)(H,33,34)
InChIKeyNVFBITQXCONWCV-UHFFFAOYSA-N
MW504.54 g/mol
LogP7.68
Rot. Bonds5

About 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 146622218) has the molecular formula C27H19F3N4OS and a molecular weight of 504.54 g/mol. Its IUPAC name is 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID146622218
Molecular FormulaC27H19F3N4OS
Molecular Weight504.54 g/mol
Exact Mass504.12
IUPAC Name4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2ccncc2)nc2sccc12
InChIInChI=1S/C27H19F3N4OS/c1-16-5-6-18(25(35)32-20-4-2-3-19(14-20)27(28,29)30)13-22(16)33-24-15-23(17-7-10-31-11-8-17)34-26-21(24)9-12-36-26/h2-15H,1H3,(H,32,35)(H,33,34)
InChIKeyNVFBITQXCONWCV-UHFFFAOYSA-N
XLogP7.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 138857895
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16746953
4-methyl-3-[(9-methyl-2-pyridin-4-ylpurin-6-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622198
N-[4-methyl-3-[(6-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 138319688
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 130182536
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 161258475
3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621857
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 24783650
N-[3-(2-ethylthieno[2,3-d]pyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 68861935
4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 166200827

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 146622218) is 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cc(-c2ccncc2)nc2sccc12.
What is the InChIKey of 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NVFBITQXCONWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4OS/c1-16-5-6-18(25(35)32-20-4-2-3-19(14-20)27(28,29)30)13-22(16)33-24-15-23(17-7-10-31-11-8-17)34-26-21(24)9-12-36-26/h2-15H,1H3,(H,32,35)(H,33,34).
What are the key properties of 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 504.54 g/mol, XLogP of 7.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 146622218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).