(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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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

C100H121BBr2Cl3N15O15 — CID 158901649

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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 158901649) has the molecular formula C100H121BBr2Cl3N15O15 and a molecular weight of 2050.14 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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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: 158901649
• Molecular Formula: C100H121BBr2Cl3N15O15
• Molecular Weight: 2050.14 g/mol
• Exact Mass: 2045.67
• 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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)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/C36H43ClN6O5.C28H35BClN3O5.C22H23BrClN3O3.C14H20BrN3O2/c1-23(25-7-10-29(46-6)11-8-25)42-21-26(18-33(42)44)24(2)47-32-17-27(22-43-34(32)30(37)20-39-43)31-12-9-28(19-38-31)40-13-15-41(16-14-40)35(45)48-36(3,4)5;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/h7-12,17,19-20,22-24,26H,13-16,18,21H2,1-6H3;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/t23-,24-,26-;17-,18-,20-;13-,14-,16-;/m111./s1
• InChIKey: JFNHVJQXYVOGAO-SQOGFTFFSA-N
• XLogP: 19.20
• TPSA: 278.01 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.14
LogP ≤ 5	19.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 158901649) 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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 JFNHVJQXYVOGAO-SQOGFTFFSA-N. The full InChI is InChI=1S/C36H43ClN6O5.C28H35BClN3O5.C22H23BrClN3O3.C14H20BrN3O2/c1-23(25-7-10-29(46-6)11-8-25)42-21-26(18-33(42)44)24(2)47-32-17-27(22-43-34(32)30(37)20-39-43)31-12-9-28(19-38-31)40-13-15-41(16-14-40)35(45)48-36(3,4)5;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/h7-12,17,19-20,22-24,26H,13-16,18,21H2,1-6H3;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/t23-,24-,26-;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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 2050.14 g/mol, XLogP of 19.20, 22 rotatable bonds, 0 hydrogen bond donors, and 25 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 4-[6-[3-chloro-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(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 158901649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).