tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

C107H113F12N31O4 — CID 161014610

About tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 161014610) has the molecular formula C107H113F12N31O4 and a molecular weight of 2125.27 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
• PubChem CID: 161014610
• Molecular Formula: C107H113F12N31O4
• Molecular Weight: 2125.27 g/mol
• Exact Mass: 2123.94
• IUPAC Name: tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
• SMILES: CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(C)N1C1COC1.C[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(C5CC5)cn34)n2)C1.C[C@H]1C[C@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(C5CC5)cn34)n2)C1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCC[C@H](C(F)(F)F)C4)n3)n2c1
• InChI: InChI=1S/2C23H25N7.C22H25F3N6O3.C21H23F3N6O.C18H15F6N5/c2*1-15-8-18(19-9-26-27-10-19)13-29(12-15)23-24-7-6-20(28-23)21-11-25-22-5-4-17(14-30(21)22)16-2-3-16;1-21(2,3)34-20(33)28-14-8-15(32)12-30(11-14)18-6-7-26-19(29-18)16-9-27-17-5-4-13(10-31(16)17)22(23,24)25;1-13-8-28(9-14(2)30(13)16-11-31-12-16)19-5-6-25-20(27-19)17-7-26-18-4-3-15(10-29(17)18)21(22,23)24;19-17(20,21)11-2-1-7-28(9-11)15-5-6-25-16(27-15)13-8-26-14-4-3-12(10-29(13)14)18(22,23)24/h2*4-7,9-11,14-16,18H,2-3,8,12-13H2,1H3,(H,26,27);4-7,9-10,14-15,32H,8,11-12H2,1-3H3,(H,28,33);3-7,10,13-14,16H,8-9,11-12H2,1-2H3;3-6,8,10-11H,1-2,7,9H2/t2*15-,18-;14-,15-;;11-/m100.0/s1
• InChIKey: TXOHEJAARGWJHA-OHIMWULKSA-N
• XLogP: 19.01
• TPSA: 359.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.27
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 161014610) is tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.CC1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(C)N1C1COC1.C[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(C5CC5)cn34)n2)C1.C[C@H]1C[C@H](c2cn[nH]c2)CN(c2nccc(-c3cnc4ccc(C5CC5)cn34)n2)C1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCC[C@H](C(F)(F)F)C4)n3)n2c1.

What is the InChIKey of tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The InChIKey is TXOHEJAARGWJHA-OHIMWULKSA-N. The full InChI is InChI=1S/2C23H25N7.C22H25F3N6O3.C21H23F3N6O.C18H15F6N5/c2*1-15-8-18(19-9-26-27-10-19)13-29(12-15)23-24-7-6-20(28-23)21-11-25-22-5-4-17(14-30(21)22)16-2-3-16;1-21(2,3)34-20(33)28-14-8-15(32)12-30(11-14)18-6-7-26-19(29-18)16-9-27-17-5-4-13(10-31(16)17)22(23,24)25;1-13-8-28(9-14(2)30(13)16-11-31-12-16)19-5-6-25-20(27-19)17-7-26-18-4-3-15(10-29(17)18)21(22,23)24;19-17(20,21)11-2-1-7-28(9-11)15-5-6-25-16(27-15)13-8-26-14-4-3-12(10-29(13)14)18(22,23)24/h2*4-7,9-11,14-16,18H,2-3,8,12-13H2,1H3,(H,26,27);4-7,9-10,14-15,32H,8,11-12H2,1-3H3,(H,28,33);3-7,10,13-14,16H,8-9,11-12H2,1-2H3;3-6,8,10-11H,1-2,7,9H2/t2*15-,18-;14-,15-;;11-/m100.0/s1.

What are the key properties of tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 2125.27 g/mol, XLogP of 19.01, 16 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3S,5S)-5-hydroxy-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]carbamate;6-cyclopropyl-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-cyclopropyl-3-[2-[(3S,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;3-[4-[3,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;6-(trifluoromethyl)-3-[4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 161014610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).