ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

C55H63F9N16O — CID 157063868

IUPACethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCC.CC.CC.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCNCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1
InChIInChI=1S/C17H16F3N5.C16H15F3N6.C16H14F3N5O.3C2H6/c18-17(19,20)12-4-5-15-22-10-14(25(15)11-12)13-6-7-21-16(23-13)24-8-2-1-3-9-24;17-16(18,19)11-1-2-14-22-9-13(25(14)10-11)12-3-4-21-15(23-12)24-7-5-20-6-8-24;17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;3*1-2/h4-7,10-11H,1-3,8-9H2;1-4,9-10,20H,5-8H2;1-4,9-10H,5-8H2;3*1-2H3
InChIKeyABQIKUXEXOTHBW-UHFFFAOYSA-N
MW1135.20 g/mol
LogP11.75
Rot. Bonds6

About ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine

ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (PubChem CID 157063868) has the molecular formula C55H63F9N16O and a molecular weight of 1135.20 g/mol. Its IUPAC name is ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Nameethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
PubChem CID157063868
Molecular FormulaC55H63F9N16O
Molecular Weight1135.20 g/mol
Exact Mass1134.52
IUPAC Nameethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine
SMILESCC.CC.CC.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCNCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1
InChIInChI=1S/C17H16F3N5.C16H15F3N6.C16H14F3N5O.3C2H6/c18-17(19,20)12-4-5-15-22-10-14(25(15)11-12)13-6-7-21-16(23-13)24-8-2-1-3-9-24;17-16(18,19)11-1-2-14-22-9-13(25(14)10-11)12-3-4-21-15(23-12)24-7-5-20-6-8-24;17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;3*1-2/h4-7,10-11H,1-3,8-9H2;1-4,9-10,20H,5-8H2;1-4,9-10H,5-8H2;3*1-2H3
InChIKeyABQIKUXEXOTHBW-UHFFFAOYSA-N
XLogP11.75
TPSA160.22 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001135.20
LogP ≤ 511.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

US9266891, III-19
CID 90161075
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431988
US9266891, III-28
CID 73891130
5-(2-(4-Fluorophenyl)-9-morpholino-1,2,3,4-tetrahydropyrido[3',4':4,5]imidazo[1,2-a]pyrazin-7-yl)pyrimidin-2-amine
CID 137642764
4-[6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]morpholine
CID 11454703
4-[2-Methyl-3-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380385
Cdk4/6-IN-16
CID 58299817
(2S)-2-[5-[(5-piperazin-1-yl-2-pyridinyl)amino]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-8-yl]propan-1-ol
CID 58300031
3-[2-[(3-fluoro-2-pyridyl)amino]pyrimidin-5-yl]-N-(2-morpholinoethyl)imidazo[1,2-b]pyridazin-6-amine
CID 66551704
4-[2-Methyl-3-(6-pyrrolidin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413400
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)-N-propan-2-ylpyridin-2-amine
CID 67413560

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine (CID 157063868) is ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is CC.CC.CC.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCCCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCNCC4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3ccnc(N4CCOCC4)n3)n2c1.
What is the InChIKey of ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
The InChIKey is ABQIKUXEXOTHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5.C16H15F3N6.C16H14F3N5O.3C2H6/c18-17(19,20)12-4-5-15-22-10-14(25(15)11-12)13-6-7-21-16(23-13)24-8-2-1-3-9-24;17-16(18,19)11-1-2-14-22-9-13(25(14)10-11)12-3-4-21-15(23-12)24-7-5-20-6-8-24;17-16(18,19)11-1-2-14-21-9-13(24(14)10-11)12-3-4-20-15(22-12)23-5-7-25-8-6-23;3*1-2/h4-7,10-11H,1-3,8-9H2;1-4,9-10,20H,5-8H2;1-4,9-10H,5-8H2;3*1-2H3.
What are the key properties of ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine?
ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine has a molecular weight of 1135.20 g/mol, XLogP of 11.75, 6 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-piperazin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-(2-piperidin-1-ylpyrimidin-4-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;4-[4-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 157063868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).