(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C100H123BBr2Cl3N15O15 — CID 158751826

About (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 158751826) has the molecular formula C100H123BBr2Cl3N15O15 and a molecular weight of 2052.15 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• PubChem CID: 158751826
• Molecular Formula: C100H123BBr2Cl3N15O15
• Molecular Weight: 2052.15 g/mol
• Exact Mass: 2047.68
• IUPAC Name: (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(Br)nc2)CC1.CC(C)(C)OC=O.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCNCC5)cn4)cn4ncc(Cl)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(B4OC(C)(C)C(C)(C)O4)cn4ncc(Cl)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1
• InChI: InChI=1S/C31H35ClN6O3.C28H35BClN3O5.C22H23BrClN3O3.C14H20BrN3O2.C5H10O2/c1-20(22-4-7-26(40-3)8-5-22)37-18-23(15-30(37)39)21(2)41-29-14-24(19-38-31(29)27(32)17-35-38)28-9-6-25(16-34-28)36-12-10-33-11-13-36;1-17(19-8-10-22(35-7)11-9-19)32-15-20(12-25(32)34)18(2)36-24-13-21(16-33-26(24)23(30)14-31-33)29-37-27(3,4)28(5,6)38-29;1-13(15-4-6-18(29-3)7-5-15)26-11-16(8-21(26)28)14(2)30-20-9-17(23)12-27-22(20)19(24)10-25-27;1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11;1-5(2,3)7-4-6/h4-9,14,16-17,19-21,23,33H,10-13,15,18H2,1-3H3;8-11,13-14,16-18,20H,12,15H2,1-7H3;4-7,9-10,12-14,16H,8,11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4H,1-3H3/t20-,21-,23-;17-,18-,20-;13-,14-,16-;;/m111../s1
• InChIKey: INORYSLXZPDQIR-KXXNQUIHSA-N
• XLogP: 18.51
• TPSA: 286.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2052.15
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 158751826) is (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is CC(C)(C)OC(=O)N1CCN(c2ccc(Br)nc2)CC1.CC(C)(C)OC=O.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCNCC5)cn4)cn4ncc(Cl)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(B4OC(C)(C)C(C)(C)O4)cn4ncc(Cl)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4ncc(Cl)c34)CC2=O)cc1.

What is the InChIKey of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The InChIKey is INORYSLXZPDQIR-KXXNQUIHSA-N. The full InChI is InChI=1S/C31H35ClN6O3.C28H35BClN3O5.C22H23BrClN3O3.C14H20BrN3O2.C5H10O2/c1-20(22-4-7-26(40-3)8-5-22)37-18-23(15-30(37)39)21(2)41-29-14-24(19-38-31(29)27(32)17-35-38)28-9-6-25(16-34-28)36-12-10-33-11-13-36;1-17(19-8-10-22(35-7)11-9-19)32-15-20(12-25(32)34)18(2)36-24-13-21(16-33-26(24)23(30)14-31-33)29-37-27(3,4)28(5,6)38-29;1-13(15-4-6-18(29-3)7-5-15)26-11-16(8-21(26)28)14(2)30-20-9-17(23)12-27-22(20)19(24)10-25-27;1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11;1-5(2,3)7-4-6/h4-9,14,16-17,19-21,23,33H,10-13,15,18H2,1-3H3;8-11,13-14,16-18,20H,12,15H2,1-7H3;4-7,9-10,12-14,16H,8,11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4H,1-3H3/t20-,21-,23-;17-,18-,20-;13-,14-,16-;;/m111../s1.

What are the key properties of (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

(4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 2052.15 g/mol, XLogP of 18.51, 23 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-(6-bromo-3-chloropyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-(6-bromo-3-pyridinyl)piperazine-1-carboxylate;tert-butyl formate;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 158751826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).