3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C₁₁₉H₁₁₉F₁₅N₄₂O₃ — CID 158031678

About 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 158031678) has the molecular formula C₁₁₉H₁₁₉F₁₅N₄₂O₃ and a molecular weight of 2470.52 g/mol. Its IUPAC name is 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 158031678
• Molecular Formula: C₁₁₉H₁₁₉F₁₅N₄₂O₃
• Molecular Weight: 2470.52 g/mol
• Exact Mass: 2469.02
• IUPAC Name: 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: Cc1[nH]ncc1[C@@H]1[C@@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1.Cc1[nH]ncc1[C@H]1[C@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5C6COCC65)C(c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC5)C(c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5ncc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C25H25F3N8O.2C24H25F3N8O.C23H21F3N10.C23H23F3N8/c26-25(27,28)16-1-2-22-30-9-20(36(22)10-16)24-29-4-3-23(33-24)35-6-5-34(11-17-18-13-37-14-19(17)18)21(12-35)15-7-31-32-8-15;2*1-14-18(9-30-32-14)22-15(2)33(7-8-34(22)17-12-36-13-17)21-5-6-28-23(31-21)19-10-29-20-4-3-16(11-35(19)20)24(25,26)27;24-23(25,26)16-1-2-20-30-11-17(36(20)12-16)22-29-4-3-21(33-22)35-8-7-34(14-19-27-5-6-28-19)18(13-35)15-9-31-32-10-15;24-23(25,26)17-3-4-20-28-11-18(34(20)13-17)22-27-6-5-21(31-22)33-8-7-32(12-15-1-2-15)19(14-33)16-9-29-30-10-16/h1-4,7-10,17-19,21H,5-6,11-14H2,(H,31,32);2*3-6,9-11,15,17,22H,7-8,12-13H2,1-2H3,(H,30,32);1-6,9-12,18H,7-8,13-14H2,(H,27,28)(H,31,32);3-6,9-11,13,15,19H,1-2,7-8,12,14H2,(H,29,30)/t;2*15-,22+;;/m.10../s1
• InChIKey: FHGHASUULLOWMV-ZWBQVDRASA-N
• XLogP: 17.40
• TPSA: 447.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 23
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.52
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 158031678) is 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1[nH]ncc1[C@@H]1[C@@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1.Cc1[nH]ncc1[C@H]1[C@H](C)N(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CCN1C1COC1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5C6COCC65)C(c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5CC5)C(c5cn[nH]c5)C4)n3)n2c1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(Cc5ncc[nH]5)C(c5cn[nH]c5)C4)n3)n2c1.

What is the InChIKey of 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is FHGHASUULLOWMV-ZWBQVDRASA-N. The full InChI is InChI=1S/C25H25F3N8O.2C24H25F3N8O.C23H21F3N10.C23H23F3N8/c26-25(27,28)16-1-2-22-30-9-20(36(22)10-16)24-29-4-3-23(33-24)35-6-5-34(11-17-18-13-37-14-19(17)18)21(12-35)15-7-31-32-8-15;2*1-14-18(9-30-32-14)22-15(2)33(7-8-34(22)17-12-36-13-17)21-5-6-28-23(31-21)19-10-29-20-4-3-16(11-35(19)20)24(25,26)27;24-23(25,26)16-1-2-20-30-11-17(36(20)12-16)22-29-4-3-21(33-22)35-8-7-34(14-19-27-5-6-28-19)18(13-35)15-9-31-32-10-15;24-23(25,26)17-3-4-20-28-11-18(34(20)13-17)22-27-6-5-21(31-22)33-8-7-32(12-15-1-2-15)19(14-33)16-9-29-30-10-16/h1-4,7-10,17-19,21H,5-6,11-14H2,(H,31,32);2*3-6,9-11,15,17,22H,7-8,12-13H2,1-2H3,(H,30,32);1-6,9-12,18H,7-8,13-14H2,(H,27,28)(H,31,32);3-6,9-11,13,15,19H,1-2,7-8,12,14H2,(H,29,30)/t;2*15-,22+;;/m.10../s1.

What are the key properties of 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 2470.52 g/mol, XLogP of 17.40, 23 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-(cyclopropylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2R,3R)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3S)-2-methyl-3-(5-methyl-1H-pyrazol-4-yl)-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[4-(3-oxabicyclo[3.1.0]hexan-6-ylmethyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 158031678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158031678 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.