tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine

C79H88Cl3F4N21O5 — CID 157056764

About tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine

tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 157056764) has the molecular formula C79H88Cl3F4N21O5 and a molecular weight of 1594.07 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine
• PubChem CID: 157056764
• Molecular Formula: C79H88Cl3F4N21O5
• Molecular Weight: 1594.07 g/mol
• Exact Mass: 1591.63
• IUPAC Name: tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(OCCN3CCCC3)nc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nc(C[C@@H]4CCCNC4)cc(OCCN4CCCC4)n3)n2c1.Fc1ccc2ncc(-c3nc(Cl)cc(Cl)n3)n2c1.Fc1ccc2ncc(-c3nc(Cl)cc(OCCN4CCCC4)n3)n2c1
• InChI: InChI=1S/C28H37FN6O3.C23H29FN6O.C17H17ClFN5O.C11H5Cl2FN4/c1-28(2,3)38-27(36)34-12-6-7-20(18-34)15-22-16-25(37-14-13-33-10-4-5-11-33)32-26(31-22)23-17-30-24-9-8-21(29)19-35(23)24;24-18-5-6-21-26-15-20(30(21)16-18)23-27-19(12-17-4-3-7-25-14-17)13-22(28-23)31-11-10-29-8-1-2-9-29;18-14-9-16(25-8-7-23-5-1-2-6-23)22-17(21-14)13-10-20-15-4-3-12(19)11-24(13)15;12-8-3-9(13)17-11(16-8)7-4-15-10-2-1-6(14)5-18(7)10/h8-9,16-17,19-20H,4-7,10-15,18H2,1-3H3;5-6,13,15-17,25H,1-4,7-12,14H2;3-4,9-11H,1-2,5-8H2;1-5H/t20-;17-;;/m00../s1
• InChIKey: AAVSWCOVCHPHEA-LMWJRGCXSA-N
• XLogP: 13.84
• TPSA: 251.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1594.07
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 157056764) is tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(OCCN3CCCC3)nc(-c3cnc4ccc(F)cn34)n2)C1.Fc1ccc2ncc(-c3nc(C[C@@H]4CCCNC4)cc(OCCN4CCCC4)n3)n2c1.Fc1ccc2ncc(-c3nc(Cl)cc(Cl)n3)n2c1.Fc1ccc2ncc(-c3nc(Cl)cc(OCCN4CCCC4)n3)n2c1.

What is the InChIKey of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The InChIKey is AAVSWCOVCHPHEA-LMWJRGCXSA-N. The full InChI is InChI=1S/C28H37FN6O3.C23H29FN6O.C17H17ClFN5O.C11H5Cl2FN4/c1-28(2,3)38-27(36)34-12-6-7-20(18-34)15-22-16-25(37-14-13-33-10-4-5-11-33)32-26(31-22)23-17-30-24-9-8-21(29)19-35(23)24;24-18-5-6-21-26-15-20(30(21)16-18)23-27-19(12-17-4-3-7-25-14-17)13-22(28-23)31-11-10-29-8-1-2-9-29;18-14-9-16(25-8-7-23-5-1-2-6-23)22-17(21-14)13-10-20-15-4-3-12(19)11-24(13)15;12-8-3-9(13)17-11(16-8)7-4-15-10-2-1-6(14)5-18(7)10/h8-9,16-17,19-20H,4-7,10-15,18H2,1-3H3;5-6,13,15-17,25H,1-4,7-12,14H2;3-4,9-11H,1-2,5-8H2;1-5H/t20-;17-;;/m00../s1.

What are the key properties of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine?

tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 1594.07 g/mol, XLogP of 13.84, 20 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]-6-fluoroimidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;6-fluoro-3-[4-[[(3S)-piperidin-3-yl]methyl]-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 157056764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).