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

C99H83Cl3F12N22 — CID 161236288

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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride
SMILESC[C@H](Nc1nccc(-c2nc3ncccn3c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.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
InChIInChI=1S/2C27H22F3N5.C25H19F3N6.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;1-16(17-7-3-2-4-8-17)31-23-29-13-11-20(32-23)21-22(34-14-6-12-30-24(34)33-21)18-9-5-10-19(15-18)25(26,27)28;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);2-16H,1H3,(H,29,31,32);1-7,9,11-12H,8,10,24H2,(H,25,26,27);3*1H/t2*18-;16-;;;;/m000..../s1
InChIKeyKDCCVOQBLSUQBW-KAHIVTDXSA-N
MW1915.24 g/mol
LogP25.08
Rot. Bonds20

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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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 161236288) has the molecular formula C99H83Cl3F12N22 and a molecular weight of 1915.24 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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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 CID161236288
Molecular FormulaC99H83Cl3F12N22
Molecular Weight1915.24 g/mol
Exact Mass1912.60
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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]pyrimidin-2-amine;N'-[4-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]ethane-1,2-diamine;trihydrochloride
SMILESC[C@H](Nc1nccc(-c2nc3ncccn3c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.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
InChIInChI=1S/2C27H22F3N5.C25H19F3N6.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;1-16(17-7-3-2-4-8-17)31-23-29-13-11-20(32-23)21-22(34-14-6-12-30-24(34)33-21)18-9-5-10-19(15-18)25(26,27)28;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);2-16H,1H3,(H,29,31,32);1-7,9,11-12H,8,10,24H2,(H,25,26,27);3*1H/t2*18-;16-;;;;/m000..../s1
InChIKeyKDCCVOQBLSUQBW-KAHIVTDXSA-N
XLogP25.08
TPSA259.35 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.24
LogP ≤ 525.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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

{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
N'-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 44431991
8-(1-adamantyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300092
6-{4-[4-(4-Fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-5-(6-piperazin-1-yl-pyridin-3-yl)-pyrimidin-4-ylamine
CID 89442794
US11420970, Example 227
CID 156073198
US11420970, Example 218
CID 156073279
US11420970, Example 323
CID 156073422
1-[3-(Diethylamino)propylamino]-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591157
1-[3-(Dimethylamino)propylamino]-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile; 3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 71591395
1-(5-(4-amino-7-(piperidin-4-yl)-7H-pyrrolo[2,3-d]pyr-imidin-5-yl)imidazo[1,2-a]-pyridin-8-yl)-3-(4-((4-methyl-piperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CID 171090761
1-(5-(4-amino-7-(1-methyl-piperidin-4-yl)-7H-pyrrolo-[2,3-d]pyrimidin-5-yl)imidazo-[1,2-a]pyridin-8-yl)-3-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea
CID 171090907
9-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117083947

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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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 161236288) 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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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 C[C@H](Nc1nccc(-c2nc3ncccn3c2-c2cccc(C(F)(F)F)c2)n1)c1ccccc1.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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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 KDCCVOQBLSUQBW-KAHIVTDXSA-N. The full InChI is InChI=1S/2C27H22F3N5.C25H19F3N6.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;1-16(17-7-3-2-4-8-17)31-23-29-13-11-20(32-23)21-22(34-14-6-12-30-24(34)33-21)18-9-5-10-19(15-18)25(26,27)28;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);2-16H,1H3,(H,29,31,32);1-7,9,11-12H,8,10,24H2,(H,25,26,27);3*1H/t2*18-;16-;;;;/m000..../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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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 1915.24 g/mol, XLogP of 25.08, 20 rotatable bonds, 5 hydrogen bond donors, and 22 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-[(1S)-1-phenylethyl]-4-[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidin-2-yl]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 161236288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).