4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride

C74H64Cl3F9N16 — CID 158550319

IUPAC4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride
SMILESCc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)n2c1.Cc1cccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc12.Cl.Cl.Cl.NCCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccccn23)n1
InChIInChI=1S/2C27H22F3N5.C20H17F3N6.3ClH/c1-17-8-7-15-35-24(23(34-25(17)35)20-11-6-12-21(16-20)27(28,29)30)22-13-14-31-26(33-22)32-18(2)19-9-4-3-5-10-19;1-17-11-12-23-34-24(20-9-6-10-21(15-20)27(28,29)30)25(35(23)16-17)22-13-14-31-26(33-22)32-18(2)19-7-4-3-5-8-19;21-20(22,23)14-5-3-4-13(12-14)17-18(29-11-2-1-6-16(29)28-17)15-7-9-25-19(27-15)26-10-8-24;;;/h2*3-16,18H,1-2H3,(H,31,32,33);1-7,9,11-12H,8,10,24H2,(H,25,26,27);3*1H/t2*18-;;;;/m00..../s1
InChIKeyRGVPWMSNGDPLBI-JGNAIURISA-N
MW1454.78 g/mol
LogP19.03
Rot. Bonds15

About 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride

4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride (PubChem CID 158550319) has the molecular formula C74H64Cl3F9N16 and a molecular weight of 1454.78 g/mol. Its IUPAC name is 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride.

Molecular Properties

Compound Name4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride
PubChem CID158550319
Molecular FormulaC74H64Cl3F9N16
Molecular Weight1454.78 g/mol
Exact Mass1452.44
IUPAC Name4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride
SMILESCc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)n2c1.Cc1cccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc12.Cl.Cl.Cl.NCCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccccn23)n1
InChIInChI=1S/2C27H22F3N5.C20H17F3N6.3ClH/c1-17-8-7-15-35-24(23(34-25(17)35)20-11-6-12-21(16-20)27(28,29)30)22-13-14-31-26(33-22)32-18(2)19-9-4-3-5-10-19;1-17-11-12-23-34-24(20-9-6-10-21(15-20)27(28,29)30)25(35(23)16-17)22-13-14-31-26(33-22)32-18(2)19-7-4-3-5-8-19;21-20(22,23)14-5-3-4-13(12-14)17-18(29-11-2-1-6-16(29)28-17)15-7-9-25-19(27-15)26-10-8-24;;;/h2*3-16,18H,1-2H3,(H,31,32,33);1-7,9,11-12H,8,10,24H2,(H,25,26,27);3*1H/t2*18-;;;;/m00..../s1
InChIKeyRGVPWMSNGDPLBI-JGNAIURISA-N
XLogP19.03
TPSA191.35 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001454.78
LogP ≤ 519.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride with MolForge

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Related Compounds

US11420970, Example 198
CID 156073186
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
(2,4-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744104
(2,5-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744105
(2,6-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744106
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-fluorobenzyl)amine
CID 24744267
(3,4-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744268
(3,5-Difluorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744269
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methylbenzyl)amine
CID 24744271
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(4-fluorobenzyl)amine
CID 24744422

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride?
The IUPAC name of 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride (CID 158550319) is 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride.
What is the SMILES notation for 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride?
The canonical SMILES for 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride is Cc1ccc2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)n2c1.Cc1cccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc12.Cl.Cl.Cl.NCCNc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccccn23)n1.
What is the InChIKey of 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride?
The InChIKey is RGVPWMSNGDPLBI-JGNAIURISA-N. The full InChI is InChI=1S/2C27H22F3N5.C20H17F3N6.3ClH/c1-17-8-7-15-35-24(23(34-25(17)35)20-11-6-12-21(16-20)27(28,29)30)22-13-14-31-26(33-22)32-18(2)19-9-4-3-5-10-19;1-17-11-12-23-34-24(20-9-6-10-21(15-20)27(28,29)30)25(35(23)16-17)22-13-14-31-26(33-22)32-18(2)19-7-4-3-5-8-19;21-20(22,23)14-5-3-4-13(12-14)17-18(29-11-2-1-6-16(29)28-17)15-7-9-25-19(27-15)26-10-8-24;;;/h2*3-16,18H,1-2H3,(H,31,32,33);1-7,9,11-12H,8,10,24H2,(H,25,26,27);3*1H/t2*18-;;;;/m00..../s1.
What are the key properties of 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride?
4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride has a molecular weight of 1454.78 g/mol, XLogP of 19.03, 15 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride is sourced from PubChem (CID 158550319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).