6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C24H22F3N7OS — CID 165142942

About 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165142942) has the molecular formula C24H22F3N7OS and a molecular weight of 513.55 g/mol. Its IUPAC name is 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 165142942
• Molecular Formula: C24H22F3N7OS
• Molecular Weight: 513.55 g/mol
• Exact Mass: 513.16
• IUPAC Name: 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: Cn1cc(Nc2ncc(CN3CCc4c(C(=O)Nc5cccc(C(F)(F)F)c5)csc4C3)cn2)cn1
• InChI: InChI=1S/C24H22F3N7OS/c1-33-12-18(10-30-33)32-23-28-8-15(9-29-23)11-34-6-5-19-20(14-36-21(19)13-34)22(35)31-17-4-2-3-16(7-17)24(25,26)27/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,31,35)(H,28,29,32)
• InChIKey: DMXYVABLCZJHOF-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.55
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 165142942) is 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is Cn1cc(Nc2ncc(CN3CCc4c(C(=O)Nc5cccc(C(F)(F)F)c5)csc4C3)cn2)cn1.

What is the InChIKey of 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is DMXYVABLCZJHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7OS/c1-33-12-18(10-30-33)32-23-28-8-15(9-29-23)11-34-6-5-19-20(14-36-21(19)13-34)22(35)31-17-4-2-3-16(7-17)24(25,26)27/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,31,35)(H,28,29,32).

What are the key properties of 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 513.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165142942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).