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

C123H143BClIN22O22 — CID 158549786

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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine (PubChem CID 158549786) has the molecular formula C123H143BClIN22O22 and a molecular weight of 2454.80 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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine
• PubChem CID: 158549786
• Molecular Formula: C123H143BClIN22O22
• Molecular Weight: 2454.80 g/mol
• Exact Mass: 2452.96
• 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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine
• SMILES: CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5ccccn45)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5ccccn45)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.Ic1cnc2ccccn12
• InChI: InChI=1S/2C31H34N6O5.C30H41BN4O7.C24H29ClN4O5.C7H5IN2/c2*1-19(38)25-18-35(13-14-41-25)20-8-11-26(32-15-20)34-23-10-9-21(24-16-33-27-7-5-6-12-36(24)27)22-17-37(29(39)28(22)23)30(40)42-31(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;8-6-5-9-7-3-1-2-4-10(6)7/h2*5-12,15-16,19,25,38H,13-14,17-18H2,1-4H3,(H,32,34);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);1-5H
• InChIKey: HPOMQCSINYOSCC-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 487.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 19
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2454.80
LogP ≤ 5	18.73
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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine (CID 158549786) 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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine is CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5ccccn45)c4c3C(=O)N(C(=O)OC(C)(C)C)C4)nc2)CCO1.CC(O)C1CN(c2ccc(Nc3ccc(-c4cnc5ccccn45)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.Ic1cnc2ccccn12.

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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine?

The InChIKey is HPOMQCSINYOSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34N6O5.C30H41BN4O7.C24H29ClN4O5.C7H5IN2/c2*1-19(38)25-18-35(13-14-41-25)20-8-11-26(32-15-20)34-23-10-9-21(24-16-33-27-7-5-6-12-36(24)27)22-17-37(29(39)28(22)23)30(40)42-31(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;8-6-5-9-7-3-1-2-4-10(6)7/h2*5-12,15-16,19,25,38H,13-14,17-18H2,1-4H3,(H,32,34);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);1-5H.

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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine has a molecular weight of 2454.80 g/mol, XLogP of 18.73, 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 4-[[5-[2-(1-hydroxyethyl)morpholin-4-yl]-2-pyridinyl]amino]-7-imidazo[1,2-a]pyridin-3-yl-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;3-iodoimidazo[1,2-a]pyridine is sourced from PubChem (CID 158549786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).