8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile

C23H22F3N7S — CID 134433108

About 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile

8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile (PubChem CID 134433108) has the molecular formula C23H22F3N7S and a molecular weight of 485.54 g/mol. Its IUPAC name is 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile
• PubChem CID: 134433108
• Molecular Formula: C23H22F3N7S
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.16
• IUPAC Name: 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile
• SMILES: Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccn2cc(C#N)nc12
• InChI: InChI=1S/C23H22F3N7S/c1-14-15(2-7-33-12-17(10-27)31-21(14)33)11-32-5-3-16(4-6-32)30-20-19-8-18(9-23(24,25)26)34-22(19)29-13-28-20/h2,7-8,12-13,16H,3-6,9,11H2,1H3,(H,28,29,30)
• InChIKey: LUVDIYWKMJDJEV-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 82.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile?

The IUPAC name of 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile (CID 134433108) is 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile.

What is the SMILES notation for 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile?

The canonical SMILES for 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile is Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccn2cc(C#N)nc12.

What is the InChIKey of 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile?

The InChIKey is LUVDIYWKMJDJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7S/c1-14-15(2-7-33-12-17(10-27)31-21(14)33)11-32-5-3-16(4-6-32)30-20-19-8-18(9-23(24,25)26)34-22(19)29-13-28-20/h2,7-8,12-13,16H,3-6,9,11H2,1H3,(H,28,29,30).

What are the key properties of 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile?

8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile has a molecular weight of 485.54 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-7-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]imidazo[1,2-a]pyridine-2-carbonitrile is sourced from PubChem (CID 134433108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).