5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C80H83BrClN23O10 — CID 159345923

About 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 159345923) has the molecular formula C80H83BrClN23O10 and a molecular weight of 1642.05 g/mol. Its IUPAC name is 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 159345923
• Molecular Formula: C80H83BrClN23O10
• Molecular Weight: 1642.05 g/mol
• Exact Mass: 1639.56
• IUPAC Name: 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
• SMILES: Brc1cccc2nccn12.CC(C)(C)OC(=O)N1Cc2c(-c3cncc4nccn34)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(Cl)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c2C1=O.O=C1NCc2c(-c3cncc4nccn34)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c21
• InChI: InChI=1S/C28H30N8O4.C23H22N8O2.C22H26ClN5O4.C7H5BrN2/c1-28(2,3)40-27(39)36-16-19-24(26(36)38)20(13-32-25(19)21-14-29-15-23-30-8-11-35(21)23)33-22-5-4-17(12-31-22)34-9-6-18(37)7-10-34;32-15-3-6-30(7-4-15)14-1-2-19(26-9-14)29-17-11-27-22(16-10-28-23(33)21(16)17)18-12-24-13-20-25-5-8-31(18)20;1-22(2,3)32-21(31)28-12-15-18(20(28)30)16(11-25-19(15)23)26-17-5-4-13(10-24-17)27-8-6-14(29)7-9-27;8-6-2-1-3-7-9-4-5-10(6)7/h4-5,8,11-15,18,37H,6-7,9-10,16H2,1-3H3,(H,31,33);1-2,5,8-9,11-13,15,32H,3-4,6-7,10H2,(H,26,29)(H,28,33);4-5,10-11,14,29H,6-9,12H2,1-3H3,(H,24,26);1-5H
• InChIKey: LGSKVWALRLAJIB-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 383.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1642.05
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 159345923) is 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is Brc1cccc2nccn12.CC(C)(C)OC(=O)N1Cc2c(-c3cncc4nccn34)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c2C1=O.CC(C)(C)OC(=O)N1Cc2c(Cl)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c2C1=O.O=C1NCc2c(-c3cncc4nccn34)ncc(Nc3ccc(N4CCC(O)CC4)cn3)c21.

What is the InChIKey of 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

The InChIKey is LGSKVWALRLAJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O4.C23H22N8O2.C22H26ClN5O4.C7H5BrN2/c1-28(2,3)40-27(39)36-16-19-24(26(36)38)20(13-32-25(19)21-14-29-15-23-30-8-11-35(21)23)33-22-5-4-17(12-31-22)34-9-6-18(37)7-10-34;32-15-3-6-30(7-4-15)14-1-2-19(26-9-14)29-17-11-27-22(16-10-28-23(33)21(16)17)18-12-24-13-20-25-5-8-31(18)20;1-22(2,3)32-21(31)28-12-15-18(20(28)30)16(11-25-19(15)23)26-17-5-4-13(10-24-17)27-8-6-14(29)7-9-27;8-6-2-1-3-7-9-4-5-10(6)7/h4-5,8,11-15,18,37H,6-7,9-10,16H2,1-3H3,(H,31,33);1-2,5,8-9,11-13,15,32H,3-4,6-7,10H2,(H,26,29)(H,28,33);4-5,10-11,14,29H,6-9,12H2,1-3H3,(H,24,26);1-5H.

What are the key properties of 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?

5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1642.05 g/mol, XLogP of 11.74, 11 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromoimidazo[1,2-a]pyridine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-5-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 159345923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).