N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide

C86H75F9N18O5S — CID 158157919

About N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide

N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide (PubChem CID 158157919) has the molecular formula C86H75F9N18O5S and a molecular weight of 1643.72 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide
• PubChem CID: 158157919
• Molecular Formula: C86H75F9N18O5S
• Molecular Weight: 1643.72 g/mol
• Exact Mass: 1642.57
• IUPAC Name: N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide
• SMILES: C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(C(=O)NCCN(C)C)cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(C(=O)O)cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CNS(C)(=O)=O)cccn23)n1)c1ccccc1
• InChI: InChI=1S/C31H30F3N7O.C28H25F3N6O2S.C27H20F3N5O2/c1-20(21-9-5-4-6-10-21)37-30-36-15-14-25(38-30)27-26(22-11-7-12-23(19-22)31(32,33)34)39-28-24(13-8-17-41(27)28)29(42)35-16-18-40(2)3;1-18(19-8-4-3-5-9-19)34-27-32-14-13-23(35-27)25-24(20-10-6-12-22(16-20)28(29,30)31)36-26-21(11-7-15-37(25)26)17-33-40(2,38)39;1-16(17-7-3-2-4-8-17)32-26-31-13-12-21(33-26)23-22(18-9-5-10-19(15-18)27(28,29)30)34-24-20(25(36)37)11-6-14-35(23)24/h4-15,17,19-20H,16,18H2,1-3H3,(H,35,42)(H,36,37,38);3-16,18,33H,17H2,1-2H3,(H,32,34,35);2-16H,1H3,(H,36,37)(H,31,32,33)/t20-;18-;16-/m000/s1
• InChIKey: FVXMZRYKDYLZKT-KRMFJOOXSA-N
• XLogP: 17.99
• TPSA: 281.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1643.72
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide (CID 158157919) is N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide is C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(C(=O)NCCN(C)C)cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(C(=O)O)cccn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3c(CNS(C)(=O)=O)cccn23)n1)c1ccccc1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide?

The InChIKey is FVXMZRYKDYLZKT-KRMFJOOXSA-N. The full InChI is InChI=1S/C31H30F3N7O.C28H25F3N6O2S.C27H20F3N5O2/c1-20(21-9-5-4-6-10-21)37-30-36-15-14-25(38-30)27-26(22-11-7-12-23(19-22)31(32,33)34)39-28-24(13-8-17-41(27)28)29(42)35-16-18-40(2)3;1-18(19-8-4-3-5-9-19)34-27-32-14-13-23(35-27)25-24(20-10-6-12-22(16-20)28(29,30)31)36-26-21(11-7-15-37(25)26)17-33-40(2,38)39;1-16(17-7-3-2-4-8-17)32-26-31-13-12-21(33-26)23-22(18-9-5-10-19(15-18)27(28,29)30)34-24-20(25(36)37)11-6-14-35(23)24/h4-15,17,19-20H,16,18H2,1-3H3,(H,35,42)(H,36,37,38);3-16,18,33H,17H2,1-2H3,(H,32,34,35);2-16H,1H3,(H,36,37)(H,31,32,33)/t20-;18-;16-/m000/s1.

What are the key properties of N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide?

N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide has a molecular weight of 1643.72 g/mol, XLogP of 17.99, 23 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;N-[[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158157919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).