tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine

C80H84Cl3F8N21O6 — CID 159258844

About tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine

tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine (PubChem CID 159258844) has the molecular formula C80H84Cl3F8N21O6 and a molecular weight of 1694.04 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine
• PubChem CID: 159258844
• Molecular Formula: C80H84Cl3F8N21O6
• Molecular Weight: 1694.04 g/mol
• Exact Mass: 1691.59
• IUPAC Name: tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)nc(Cl)c2F)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c2F)C1.Fc1ccc2ncc(-c3nc(C[C@@H]4CCCNC4)c(F)c(N4CCOCC4)n3)n2c1.Fc1ccc2ncc(-c3nc(Cl)c(F)c(Cl)n3)n2c1
• InChI: InChI=1S/C26H32F2N6O3.C22H24ClF2N5O2.C21H24F2N6O.C11H4Cl2F2N4/c1-26(2,3)37-25(35)33-8-4-5-17(15-33)13-19-22(28)24(32-9-11-36-12-10-32)31-23(30-19)20-14-29-21-7-6-18(27)16-34(20)21;1-22(2,3)32-21(31)29-8-4-5-13(11-29)9-15-18(25)19(23)28-20(27-15)16-10-26-17-7-6-14(24)12-30(16)17;22-15-3-4-18-25-12-17(29(18)13-15)20-26-16(10-14-2-1-5-24-11-14)19(23)21(27-20)28-6-8-30-9-7-28;12-9-8(15)10(13)18-11(17-9)6-3-16-7-2-1-5(14)4-19(6)7/h6-7,14,16-17H,4-5,8-13,15H2,1-3H3;6-7,10,12-13H,4-5,8-9,11H2,1-3H3;3-4,12-14,24H,1-2,5-11H2;1-4H/t17-;13-;14-;/m000./s1
• InChIKey: KWGBIJQNKSRUAL-HWIIGBQQSA-N
• XLogP: 14.83
• TPSA: 268.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1694.04
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine?

The IUPAC name of tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine (CID 159258844) is tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine?

The canonical SMILES for tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)nc(Cl)c2F)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)nc(N3CCOCC3)c2F)C1.Fc1ccc2ncc(-c3nc(C[C@@H]4CCCNC4)c(F)c(N4CCOCC4)n3)n2c1.Fc1ccc2ncc(-c3nc(Cl)c(F)c(Cl)n3)n2c1.

What is the InChIKey of tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine?

The InChIKey is KWGBIJQNKSRUAL-HWIIGBQQSA-N. The full InChI is InChI=1S/C26H32F2N6O3.C22H24ClF2N5O2.C21H24F2N6O.C11H4Cl2F2N4/c1-26(2,3)37-25(35)33-8-4-5-17(15-33)13-19-22(28)24(32-9-11-36-12-10-32)31-23(30-19)20-14-29-21-7-6-18(27)16-34(20)21;1-22(2,3)32-21(31)29-8-4-5-13(11-29)9-15-18(25)19(23)28-20(27-15)16-10-26-17-7-6-14(24)12-30(16)17;22-15-3-4-18-25-12-17(29(18)13-15)20-26-16(10-14-2-1-5-24-11-14)19(23)21(27-20)28-6-8-30-9-7-28;12-9-8(15)10(13)18-11(17-9)6-3-16-7-2-1-5(14)4-19(6)7/h6-7,14,16-17H,4-5,8-13,15H2,1-3H3;6-7,10,12-13H,4-5,8-9,11H2,1-3H3;3-4,12-14,24H,1-2,5-11H2;1-4H/t17-;13-;14-;/m000./s1.

What are the key properties of tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine?

tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine has a molecular weight of 1694.04 g/mol, XLogP of 14.83, 12 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[[6-chloro-5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;tert-butyl (3S)-3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4,6-dichloro-5-fluoropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;4-[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159258844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).