ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C84H69F9N16O4 — CID 162171443

IUPACethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCOC(=O)c1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.CNCc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(C(=O)O)ccn23)n1)c1ccccc1
InChIInChI=1S/C29H24F3N5O2.C28H25F3N6.C27H20F3N5O2/c1-3-39-27(38)21-13-15-37-24(17-21)36-25(20-10-7-11-22(16-20)29(30,31)32)26(37)23-12-14-33-28(35-23)34-18(2)19-8-5-4-6-9-19;1-18(20-7-4-3-5-8-20)34-27-33-13-11-23(35-27)26-25(21-9-6-10-22(16-21)28(29,30)31)36-24-15-19(17-32-2)12-14-37(24)26;1-16(17-6-3-2-4-7-17)32-26-31-12-10-21(33-26)24-23(18-8-5-9-20(14-18)27(28,29)30)34-22-15-19(25(36)37)11-13-35(22)24/h4-18H,3H2,1-2H3,(H,33,34,35);3-16,18,32H,17H2,1-2H3,(H,33,34,35);2-16H,1H3,(H,36,37)(H,31,32,33)/t2*18-;16-/m000/s1
InChIKeyZNVQZLCHZPNRDJ-UDMYHCITSA-N
MW1537.57 g/mol
LogP19.54
Rot. Bonds20

About ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid

ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 162171443) has the molecular formula C84H69F9N16O4 and a molecular weight of 1537.57 g/mol. Its IUPAC name is ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Nameethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID162171443
Molecular FormulaC84H69F9N16O4
Molecular Weight1537.57 g/mol
Exact Mass1536.55
IUPAC Nameethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESCCOC(=O)c1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.CNCc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(C(=O)O)ccn23)n1)c1ccccc1
InChIInChI=1S/C29H24F3N5O2.C28H25F3N6.C27H20F3N5O2/c1-3-39-27(38)21-13-15-37-24(17-21)36-25(20-10-7-11-22(16-20)29(30,31)32)26(37)23-12-14-33-28(35-23)34-18(2)19-8-5-4-6-9-19;1-18(20-7-4-3-5-8-20)34-27-33-13-11-23(35-27)26-25(21-9-6-10-22(16-21)28(29,30)31)36-24-15-19(17-32-2)12-14-37(24)26;1-16(17-6-3-2-4-7-17)32-26-31-12-10-21(33-26)24-23(18-8-5-9-20(14-18)27(28,29)30)34-22-15-19(25(36)37)11-13-35(22)24/h4-18H,3H2,1-2H3,(H,33,34,35);3-16,18,32H,17H2,1-2H3,(H,33,34,35);2-16H,1H3,(H,36,37)(H,31,32,33)/t2*18-;16-/m000/s1
InChIKeyZNVQZLCHZPNRDJ-UDMYHCITSA-N
XLogP19.54
TPSA240.96 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.57
LogP ≤ 519.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 162171443) is ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is CCOC(=O)c1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.CNCc1ccn2c(-c3ccnc(N[C@@H](C)c4ccccc4)n3)c(-c3cccc(C(F)(F)F)c3)nc2c1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3cc(C(=O)O)ccn23)n1)c1ccccc1.
What is the InChIKey of ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is ZNVQZLCHZPNRDJ-UDMYHCITSA-N. The full InChI is InChI=1S/C29H24F3N5O2.C28H25F3N6.C27H20F3N5O2/c1-3-39-27(38)21-13-15-37-24(17-21)36-25(20-10-7-11-22(16-20)29(30,31)32)26(37)23-12-14-33-28(35-23)34-18(2)19-8-5-4-6-9-19;1-18(20-7-4-3-5-8-20)34-27-33-13-11-23(35-27)26-25(21-9-6-10-22(16-21)28(29,30)31)36-24-15-19(17-32-2)12-14-37(24)26;1-16(17-6-3-2-4-7-17)32-26-31-12-10-21(33-26)24-23(18-8-5-9-20(14-18)27(28,29)30)34-22-15-19(25(36)37)11-13-35(22)24/h4-18H,3H2,1-2H3,(H,33,34,35);3-16,18,32H,17H2,1-2H3,(H,33,34,35);2-16H,1H3,(H,36,37)(H,31,32,33)/t2*18-;16-/m000/s1.
What are the key properties of ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 1537.57 g/mol, XLogP of 19.54, 20 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylate;4-[7-(methylaminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 162171443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).