tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine

C123H140BClF3IN22O22 — CID 157183546

About tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine

tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine (PubChem CID 157183546) has the molecular formula C123H140BClF3IN22O22 and a molecular weight of 2508.77 g/mol. Its IUPAC name is tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine
• PubChem CID: 157183546
• Molecular Formula: C123H140BClF3IN22O22
• Molecular Weight: 2508.77 g/mol
• Exact Mass: 2506.93
• IUPAC Name: tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine
• SMILES: CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.Fc1ccn2c(I)cnc2c1
• InChI: InChI=1S/2C31H33FN6O5.C30H41BN4O7.C24H29ClN4O5.C7H4FIN2/c2*1-18(39)25-17-36(11-12-42-25)20-5-8-26(33-14-20)35-23-7-6-21(24-15-34-27-13-19(32)9-10-37(24)27)22-16-38(29(40)28(22)23)30(41)43-31(2,3)4;1-18(36)23-17-34(13-14-39-23)19-9-12-24(32-15-19)33-22-11-10-21(31-41-29(5,6)30(7,8)42-31)20-16-35(26(37)25(20)22)27(38)40-28(2,3)4;1-14(30)19-13-28(9-10-33-19)15-5-8-20(26-11-15)27-18-7-6-17(25)16-12-29(22(31)21(16)18)23(32)34-24(2,3)4;8-5-1-2-11-6(9)4-10-7(11)3-5/h2*5-10,13-15,18,25,39H,11-12,16-17H2,1-4H3,(H,33,35);9-12,15,18,23,36H,13-14,16-17H2,1-8H3,(H,32,33);5-8,11,14,19,30H,9-10,12-13H2,1-4H3,(H,26,27);1-4H
• InChIKey: AOVOZPBCWXXDKQ-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 487.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 19
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.77
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine (CID 157183546) is tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine is CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(Cl)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.Fc1ccn2c(I)cnc2c1.

What is the InChIKey of tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?

The InChIKey is AOVOZPBCWXXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H33FN6O5.C30H41BN4O7.C24H29ClN4O5.C7H4FIN2/c2*1-18(39)25-17-36(11-12-42-25)20-5-8-26(33-14-20)35-23-7-6-21(24-15-34-27-13-19(32)9-10-37(24)27)22-16-38(29(40)28(22)23)30(41)43-31(2,3)4;1-18(36)23-17-34(13-14-39-23)19-9-12-24(32-15-19)33-22-11-10-21(31-41-29(5,6)30(7,8)42-31)20-16-35(26(37)25(20)22)27(38)40-28(2,3)4;1-14(30)19-13-28(9-10-33-19)15-5-8-20(26-11-15)27-18-7-6-17(25)16-12-29(22(31)21(16)18)23(32)34-24(2,3)4;8-5-1-2-11-6(9)4-10-7(11)3-5/h2*5-10,13-15,18,25,39H,11-12,16-17H2,1-4H3,(H,33,35);9-12,15,18,23,36H,13-14,16-17H2,1-8H3,(H,32,33);5-8,11,14,19,30H,9-10,12-13H2,1-4H3,(H,26,27);1-4H.

What are the key properties of tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine?

tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine has a molecular weight of 2508.77 g/mol, XLogP of 19.15, 19 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 7-chloro-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate;bis(tert-butyl 7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-1H-isoindole-2-carboxylate);tert-butyl 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-3-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindole-2-carboxylate;7-fluoro-3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 157183546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).