4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide

C119H101F12N27O3 — CID 158033548

About 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide

4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 158033548) has the molecular formula C119H101F12N27O3 and a molecular weight of 2185.28 g/mol. Its IUPAC name is 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 158033548
• Molecular Formula: C119H101F12N27O3
• Molecular Weight: 2185.28 g/mol
• Exact Mass: 2183.84
• IUPAC Name: 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(C(=O)NCCN(C)C)cn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(CN)cn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(CN=[N+]=[N-])cn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(NC(=O)OCc4ccccc4)cn23)n1)c1ccccc1
• InChI: InChI=1S/C34H27F3N6O2.C31H30F3N7O.C27H21F3N8.C27H23F3N6/c1-22(24-11-6-3-7-12-24)39-32-38-18-17-28(41-32)31-30(25-13-8-14-26(19-25)34(35,36)37)42-29-16-15-27(20-43(29)31)40-33(44)45-21-23-9-4-2-5-10-23;1-20(21-8-5-4-6-9-21)37-30-36-15-14-25(38-30)28-27(22-10-7-11-24(18-22)31(32,33)34)39-26-13-12-23(19-41(26)28)29(42)35-16-17-40(2)3;1-17(19-6-3-2-4-7-19)34-26-32-13-12-22(35-26)25-24(20-8-5-9-21(14-20)27(28,29)30)36-23-11-10-18(15-33-37-31)16-38(23)25;1-17(19-6-3-2-4-7-19)33-26-32-13-12-22(34-26)25-24(20-8-5-9-21(14-20)27(28,29)30)35-23-11-10-18(15-31)16-36(23)25/h2-20,22H,21H2,1H3,(H,40,44)(H,38,39,41);4-15,18-20H,16-17H2,1-3H3,(H,35,42)(H,36,37,38);2-14,16-17H,15H2,1H3,(H,32,34,35);2-14,16-17H,15,31H2,1H3,(H,32,33,34)/t22-;20-;2*17-/m0000/s1
• InChIKey: FHLWWXAMWYWUNZ-QJHGVFBISA-N
• XLogP: 27.91
• TPSA: 365.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2185.28
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 158033548) is 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide is C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(C(=O)NCCN(C)C)cn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(CN)cn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(CN=[N+]=[N-])cn23)n1)c1ccccc1.C[C@H](Nc1nccc(-c2c(-c3cccc(C(F)(F)F)c3)nc3ccc(NC(=O)OCc4ccccc4)cn23)n1)c1ccccc1.

What is the InChIKey of 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is FHLWWXAMWYWUNZ-QJHGVFBISA-N. The full InChI is InChI=1S/C34H27F3N6O2.C31H30F3N7O.C27H21F3N8.C27H23F3N6/c1-22(24-11-6-3-7-12-24)39-32-38-18-17-28(41-32)31-30(25-13-8-14-26(19-25)34(35,36)37)42-29-16-15-27(20-43(29)31)40-33(44)45-21-23-9-4-2-5-10-23;1-20(21-8-5-4-6-9-21)37-30-36-15-14-25(38-30)28-27(22-10-7-11-24(18-22)31(32,33)34)39-26-13-12-23(19-41(26)28)29(42)35-16-17-40(2)3;1-17(19-6-3-2-4-7-19)34-26-32-13-12-22(35-26)25-24(20-8-5-9-21(14-20)27(28,29)30)36-23-11-10-18(15-33-37-31)16-38(23)25;1-17(19-6-3-2-4-7-19)33-26-32-13-12-22(34-26)25-24(20-8-5-9-21(14-20)27(28,29)30)35-23-11-10-18(15-31)16-36(23)25/h2-20,22H,21H2,1H3,(H,40,44)(H,38,39,41);4-15,18-20H,16-17H2,1-3H3,(H,35,42)(H,36,37,38);2-14,16-17H,15H2,1H3,(H,32,34,35);2-14,16-17H,15,31H2,1H3,(H,32,33,34)/t22-;20-;2*17-/m0000/s1.

What are the key properties of 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?

4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 2185.28 g/mol, XLogP of 27.91, 30 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(aminomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;4-[6-(azidomethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine;benzyl N-[3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]carbamate;N-[2-(dimethylamino)ethyl]-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 158033548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).