(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C86H104BBrN12O13 — CID 157412330

About (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 157412330) has the molecular formula C86H104BBrN12O13 and a molecular weight of 1604.56 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 157412330
• Molecular Formula: C86H104BBrN12O13
• Molecular Weight: 1604.56 g/mol
• Exact Mass: 1602.71
• IUPAC Name: (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• SMILES: COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)cn4nccc34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(B4OC(C)(C)C(C)(C)O4)cn4nccc34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4nccc34)CC2=O)cc1
• InChI: InChI=1S/C36H44N6O5.C28H36BN3O5.C22H24BrN3O3/c1-24(26-7-10-30(45-6)11-8-26)41-22-27(20-34(41)43)25(2)46-33-19-28(23-42-32(33)13-14-38-42)31-12-9-29(21-37-31)39-15-17-40(18-16-39)35(44)47-36(3,4)5;1-18(20-8-10-23(34-7)11-9-20)31-16-21(14-26(31)33)19(2)35-25-15-22(17-32-24(25)12-13-30-32)29-36-27(3,4)28(5,6)37-29;1-14(16-4-6-19(28-3)7-5-16)25-12-17(10-22(25)27)15(2)29-21-11-18(23)13-26-20(21)8-9-24-26/h7-14,19,21,23-25,27H,15-18,20,22H2,1-6H3;8-13,15,17-19,21H,14,16H2,1-7H3;4-9,11,13-15,17H,10,12H2,1-3H3/t24-,25-,27-;18-,19-,21-;14-,15-,17-/m111/s1
• InChIKey: BOKVPDPJURHPDD-VTIDFXRMSA-N
• XLogP: 14.34
• TPSA: 232.34 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1604.56
LogP ≤ 5	14.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 157412330) is (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)cn4nccc34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(B4OC(C)(C)C(C)(C)O4)cn4nccc34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4nccc34)CC2=O)cc1.

What is the InChIKey of (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is BOKVPDPJURHPDD-VTIDFXRMSA-N. The full InChI is InChI=1S/C36H44N6O5.C28H36BN3O5.C22H24BrN3O3/c1-24(26-7-10-30(45-6)11-8-26)41-22-27(20-34(41)43)25(2)46-33-19-28(23-42-32(33)13-14-38-42)31-12-9-29(21-37-31)39-15-17-40(18-16-39)35(44)47-36(3,4)5;1-18(20-8-10-23(34-7)11-9-20)31-16-21(14-26(31)33)19(2)35-25-15-22(17-32-24(25)12-13-30-32)29-36-27(3,4)28(5,6)37-29;1-14(16-4-6-19(28-3)7-5-16)25-12-17(10-22(25)27)15(2)29-21-11-18(23)13-26-20(21)8-9-24-26/h7-14,19,21,23-25,27H,15-18,20,22H2,1-6H3;8-13,15,17-19,21H,14,16H2,1-7H3;4-9,11,13-15,17H,10,12H2,1-3H3/t24-,25-,27-;18-,19-,21-;14-,15-,17-/m111/s1.

What are the key properties of (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

(4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 1604.56 g/mol, XLogP of 14.34, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-(6-bromopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;tert-butyl 4-[6-[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)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(1R)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 157412330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).