(2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C79H77ClF11N25O4S — CID 159990805

About (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

(2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 159990805) has the molecular formula C79H77ClF11N25O4S and a molecular weight of 1717.15 g/mol. Its IUPAC name is (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 159990805
• Molecular Formula: C79H77ClF11N25O4S
• Molecular Weight: 1717.15 g/mol
• Exact Mass: 1715.58
• IUPAC Name: (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: COC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(F)(F)C1.C[C@@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.C[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@@H](c2cn[nH]c2)O1
• InChI: InChI=1S/C21H20F3N7.C20H24F2N6OS.C19H17ClFN7O.C19H16F5N5O2/c1-13-6-14(15-7-27-28-8-15)11-30(10-13)19-4-5-25-20(29-19)17-9-26-18-3-2-16(12-31(17)18)21(22,23)24;1-13-8-15(26-30(2,3)29)12-27(10-13)18-6-7-23-20(25-18)16-9-24-17-5-4-14(19(21)22)11-28(16)17;1-11-8-27(10-16(29-11)12-5-24-25-6-12)17-2-3-22-19(26-17)15-7-23-18-4-14(21)13(20)9-28(15)18;1-31-17(30)11-6-18(20,21)10-28(8-11)15-4-5-25-16(27-15)13-7-26-14-3-2-12(9-29(13)14)19(22,23)24/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,27,28);4-7,9,11,13,15,19H,8,10,12H2,1-3H3;2-7,9,11,16H,8,10H2,1H3,(H,24,25);2-5,7,9,11H,6,8,10H2,1H3/t13-,14-;13-,15-;11-,16-;/m110./s1
• InChIKey: OGXQNMMBDCDLHU-ADMBXPIASA-N
• XLogP: 14.55
• TPSA: 307.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.15
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 159990805) is (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is COC(=O)C1CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC(F)(F)C1.C[C@@H]1C[C@@H](N=S(C)(C)=O)CN(c2ccnc(-c3cnc4ccc(C(F)F)cn34)n2)C1.C[C@@H]1C[C@@H](c2cn[nH]c2)CN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)C1.C[C@H]1CN(c2ccnc(-c3cnc4cc(F)c(Cl)cn34)n2)C[C@@H](c2cn[nH]c2)O1.

What is the InChIKey of (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is OGXQNMMBDCDLHU-ADMBXPIASA-N. The full InChI is InChI=1S/C21H20F3N7.C20H24F2N6OS.C19H17ClFN7O.C19H16F5N5O2/c1-13-6-14(15-7-27-28-8-15)11-30(10-13)19-4-5-25-20(29-19)17-9-26-18-3-2-16(12-31(17)18)21(22,23)24;1-13-8-15(26-30(2,3)29)12-27(10-13)18-6-7-23-20(25-18)16-9-24-17-5-4-14(19(21)22)11-28(16)17;1-11-8-27(10-16(29-11)12-5-24-25-6-12)17-2-3-22-19(26-17)15-7-23-18-4-14(21)13(20)9-28(15)18;1-31-17(30)11-6-18(20,21)10-28(8-11)15-4-5-25-16(27-15)13-7-26-14-3-2-12(9-29(13)14)19(22,23)24/h2-5,7-9,12-14H,6,10-11H2,1H3,(H,27,28);4-7,9,11,13,15,19H,8,10,12H2,1-3H3;2-7,9,11,16H,8,10H2,1H3,(H,24,25);2-5,7,9,11H,6,8,10H2,1H3/t13-,14-;13-,15-;11-,16-;/m110./s1.

What are the key properties of (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

(2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1717.15 g/mol, XLogP of 14.55, 13 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(1H-pyrazol-4-yl)morpholine;[(3R,5R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-λ6-sulfane;methyl 5,5-difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylate;3-[4-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159990805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).