6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide

C100H97Cl2F9N36O5 — CID 162238958

About 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide

6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (PubChem CID 162238958) has the molecular formula C100H97Cl2F9N36O5 and a molecular weight of 2125.01 g/mol. Its IUPAC name is 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
• PubChem CID: 162238958
• Molecular Formula: C100H97Cl2F9N36O5
• Molecular Weight: 2125.01 g/mol
• Exact Mass: 2122.77
• IUPAC Name: 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide
• SMILES: C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1[C@H](c2cn[nH]c2)N(C2COC2)CCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C(N)=O)O1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)[C@@H](C)[C@@H](c2cn[nH]c2)N1
• InChI: InChI=1S/C23H23F3N8O.C20H21ClN8.C20H18F3N7O.C19H18ClN7O.C18H17F3N6O2/c1-14-21(15-8-29-30-9-15)33(17-12-35-13-17)7-6-32(14)20-4-5-27-22(31-20)18-10-28-19-3-2-16(11-34(18)19)23(24,25)26;1-12-10-28(13(2)19(26-12)14-7-24-25-8-14)18-5-6-22-20(27-18)16-9-23-17-4-3-15(21)11-29(16)17;1-12-9-29(11-16(31-12)13-6-26-27-7-13)18-4-5-24-19(28-18)15-8-25-17-3-2-14(10-30(15)17)20(21,22)23;1-12-9-26(11-16(28-12)13-6-23-24-7-13)18-4-5-21-19(25-18)15-8-22-17-3-2-14(20)10-27(15)17;1-10-7-26(9-13(29-10)16(22)28)15-4-5-23-17(25-15)12-6-24-14-3-2-11(8-27(12)14)18(19,20)21/h2-5,8-11,14,17,21H,6-7,12-13H2,1H3,(H,29,30);3-9,11-13,19,26H,10H2,1-2H3,(H,24,25);2-8,10,12,16H,9,11H2,1H3,(H,26,27);2-8,10,12,16H,9,11H2,1H3,(H,23,24);2-6,8,10,13H,7,9H2,1H3,(H2,22,28)/t14-,21-;12-,13-,19-;2*12-,16-;10-,13-/m10110/s1
• InChIKey: ZWLFKAFLUYQAHC-AZZOKBKMSA-N
• XLogP: 14.80
• TPSA: 441.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.01
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?

The IUPAC name of 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide (CID 162238958) is 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide.

What is the SMILES notation for 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?

The canonical SMILES for 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is C[C@@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)C[C@H](c2cn[nH]c2)O1.C[C@@H]1[C@H](c2cn[nH]c2)N(C2COC2)CCN1c1ccnc(-c2cnc3ccc(C(F)(F)F)cn23)n1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C[C@@H](C(N)=O)O1.C[C@H]1CN(c2ccnc(-c3cnc4ccc(Cl)cn34)n2)[C@@H](C)[C@@H](c2cn[nH]c2)N1.

What is the InChIKey of 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?

The InChIKey is ZWLFKAFLUYQAHC-AZZOKBKMSA-N. The full InChI is InChI=1S/C23H23F3N8O.C20H21ClN8.C20H18F3N7O.C19H18ClN7O.C18H17F3N6O2/c1-14-21(15-8-29-30-9-15)33(17-12-35-13-17)7-6-32(14)20-4-5-27-22(31-20)18-10-28-19-3-2-16(11-34(18)19)23(24,25)26;1-12-10-28(13(2)19(26-12)14-7-24-25-8-14)18-5-6-22-20(27-18)16-9-23-17-4-3-15(21)11-29(16)17;1-12-9-29(11-16(31-12)13-6-26-27-7-13)18-4-5-24-19(28-18)15-8-25-17-3-2-14(10-30(15)17)20(21,22)23;1-12-9-26(11-16(28-12)13-6-23-24-7-13)18-4-5-21-19(25-18)15-8-22-17-3-2-14(20)10-27(15)17;1-10-7-26(9-13(29-10)16(22)28)15-4-5-23-17(25-15)12-6-24-14-3-2-11(8-27(12)14)18(19,20)21/h2-5,8-11,14,17,21H,6-7,12-13H2,1H3,(H,29,30);3-9,11-13,19,26H,10H2,1-2H3,(H,24,25);2-8,10,12,16H,9,11H2,1H3,(H,26,27);2-8,10,12,16H,9,11H2,1H3,(H,23,24);2-6,8,10,13H,7,9H2,1H3,(H2,22,28)/t14-,21-;12-,13-,19-;2*12-,16-;10-,13-/m10110/s1.

What are the key properties of 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide?

6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide has a molecular weight of 2125.01 g/mol, XLogP of 14.80, 16 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;(2R,6S)-4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;3-[4-[(2R,3S)-2-methyl-4-(oxetan-3-yl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;(2R,6S)-2-methyl-6-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine;(2S,6S)-6-methyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 162238958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).