tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

C70H65ClF4N24O11 — CID 161246172

About tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine

tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (PubChem CID 161246172) has the molecular formula C70H65ClF4N24O11 and a molecular weight of 1529.89 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]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)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
• PubChem CID: 161246172
• Molecular Formula: C70H65ClF4N24O11
• Molecular Weight: 1529.89 g/mol
• Exact Mass: 1528.49
• IUPAC Name: tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)ncc2[N+](=O)[O-])C1.N#CCC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)ncc2[N+](=O)[O-])C1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H]1CCCNC1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl
• InChI: InChI=1S/C22H25FN6O4.C20H18FN7O3.C17H17FN6O2.C11H5ClFN5O2/c1-22(2,3)33-21(30)27-8-4-5-14(12-27)9-16-17(29(31)32)10-25-20(26-16)18-11-24-19-7-6-15(23)13-28(18)19;21-14-3-4-18-23-10-17(27(18)12-14)20-24-9-16(28(30)31)15(25-20)8-13-2-1-7-26(11-13)19(29)5-6-22;18-12-3-4-16-20-9-15(23(16)10-12)17-21-8-14(24(25)26)13(22-17)6-11-2-1-5-19-7-11;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3;3-4,9-10,12-13H,1-2,5,7-8,11H2;3-4,8-11,19H,1-2,5-7H2;1-5H/t14-;13-;11-;/m000./s1
• InChIKey: VARBMGNRMIGWMN-RCTKGFLDSA-N
• XLogP: 11.43
• TPSA: 430.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1529.89
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]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)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine (CID 161246172) is tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]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)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]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)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)ncc2[N+](=O)[O-])C1.N#CCC(=O)N1CCC[C@@H](Cc2nc(-c3cnc4ccc(F)cn34)ncc2[N+](=O)[O-])C1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1C[C@@H]1CCCNC1.O=[N+]([O-])c1cnc(-c2cnc3ccc(F)cn23)nc1Cl.

What is the InChIKey of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

The InChIKey is VARBMGNRMIGWMN-RCTKGFLDSA-N. The full InChI is InChI=1S/C22H25FN6O4.C20H18FN7O3.C17H17FN6O2.C11H5ClFN5O2/c1-22(2,3)33-21(30)27-8-4-5-14(12-27)9-16-17(29(31)32)10-25-20(26-16)18-11-24-19-7-6-15(23)13-28(18)19;21-14-3-4-18-23-10-17(27(18)12-14)20-24-9-16(28(30)31)15(25-20)8-13-2-1-7-26(11-13)19(29)5-6-22;18-12-3-4-16-20-9-15(23(16)10-12)17-21-8-14(24(25)26)13(22-17)6-11-2-1-5-19-7-11;12-10-7(18(19)20)3-15-11(16-10)8-4-14-9-2-1-6(13)5-17(8)9/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3;3-4,9-10,12-13H,1-2,5,7-8,11H2;3-4,8-11,19H,1-2,5-7H2;1-5H/t14-;13-;11-;/m000./s1.

What are the key properties of tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine?

tert-butyl (3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 1529.89 g/mol, XLogP of 11.43, 15 rotatable bonds, 1 hydrogen bond donors, and 29 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)-5-nitropyrimidin-4-yl]methyl]piperidine-1-carboxylate;3-(4-chloro-5-nitropyrimidin-2-yl)-6-fluoroimidazo[1,2-a]pyridine;3-[(3S)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-nitropyrimidin-4-yl]methyl]piperidin-1-yl]-3-oxopropanenitrile;6-fluoro-3-[5-nitro-4-[[(3S)-piperidin-3-yl]methyl]pyrimidin-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 161246172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).