5-methyl-6-[[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 134433106

IUPAC5-methyl-6-[[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
SMILESCc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2nc(C#N)cn12
InChIInChI=1S/C23H22F3N7S/c1-14-15(2-3-20-30-17(10-27)12-33(14)20)11-32-6-4-16(5-7-32)31-21-19-8-18(9-23(24,25)26)34-22(19)29-13-28-21/h2-3,8,12-13,16H,4-7,9,11H2,1H3,(H,28,29,31)
InChIKeyHKXLSYVBYDDNNO-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.70
Rot. Bonds5

About 5-methyl-6-[[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

5-methyl-6-[[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 134433106) has the molecular formula C23H22F3N7S and a molecular weight of 485.54 g/mol. Its IUPAC name is 5-methyl-6-[[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 Name5-methyl-6-[[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 CID134433106
Molecular FormulaC23H22F3N7S
Molecular Weight485.54 g/mol
Exact Mass485.16
IUPAC Name5-methyl-6-[[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
SMILESCc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2nc(C#N)cn12
InChIInChI=1S/C23H22F3N7S/c1-14-15(2-3-20-30-17(10-27)12-33(14)20)11-32-6-4-16(5-7-32)31-21-19-8-18(9-23(24,25)26)34-22(19)29-13-28-21/h2-3,8,12-13,16H,4-7,9,11H2,1H3,(H,28,29,31)
InChIKeyHKXLSYVBYDDNNO-UHFFFAOYSA-N
XLogP4.70
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-methyl-6-[[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 with MolForge

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Related Compounds

Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 25263294
5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
CID 86297077
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167
N-(2-aminoethyl)-12-methyl-4-(pyridin-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093432
N-(2-aminoethyl)-12-methyl-4-(pyridin-3-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093433
N-(2-aminoethyl)-12-methyl-4-(pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093434
4-[3-(aminomethyl)phenyl]-N,12-dimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093443

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[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 5-methyl-6-[[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 134433106) is 5-methyl-6-[[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 5-methyl-6-[[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 5-methyl-6-[[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)ccc2nc(C#N)cn12.
What is the InChIKey of 5-methyl-6-[[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 HKXLSYVBYDDNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7S/c1-14-15(2-3-20-30-17(10-27)12-33(14)20)11-32-6-4-16(5-7-32)31-21-19-8-18(9-23(24,25)26)34-22(19)29-13-28-21/h2-3,8,12-13,16H,4-7,9,11H2,1H3,(H,28,29,31).
What are the key properties of 5-methyl-6-[[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?
5-methyl-6-[[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 5-methyl-6-[[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 134433106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).