(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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C82H96BrN13O10 — CID 158532493

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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 158532493) has the molecular formula C82H96BrN13O10 and a molecular weight of 1503.65 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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 158532493
• Molecular Formula: C82H96BrN13O10
• Molecular Weight: 1503.65 g/mol
• Exact Mass: 1501.66
• 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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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)cc4)cn4nccc34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4nccc34)CC2=O)cc1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cc2)cn2nccc12)[C@H]1CNC(=O)C1
• InChI: InChI=1S/C37H45N5O5.C23H27N5O2.C22H24BrN3O3/c1-25(27-9-13-32(45-6)14-10-27)41-23-29(22-35(41)43)26(2)46-34-21-30(24-42-33(34)15-16-38-42)28-7-11-31(12-8-28)39-17-19-40(20-18-39)36(44)47-37(3,4)5;1-16(18-13-23(29)25-14-18)30-22-12-19(15-28-21(22)6-7-26-28)17-2-4-20(5-3-17)27-10-8-24-9-11-27;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/h7-16,21,24-26,29H,17-20,22-23H2,1-6H3;2-7,12,15-16,18,24H,8-11,13-14H2,1H3,(H,25,29);4-9,11,13-15,17H,10,12H2,1-3H3/t25-,26-,29-;16-,18-;14-,15-,17-/m111/s1
• InChIKey: HNNQPHUUHRHKPJ-WEZNTMGASA-N
• XLogP: 13.24
• TPSA: 215.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.65
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 158532493) 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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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)cc4)cn4nccc34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Br)cn4nccc34)CC2=O)cc1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cc2)cn2nccc12)[C@H]1CNC(=O)C1.

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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is HNNQPHUUHRHKPJ-WEZNTMGASA-N. The full InChI is InChI=1S/C37H45N5O5.C23H27N5O2.C22H24BrN3O3/c1-25(27-9-13-32(45-6)14-10-27)41-23-29(22-35(41)43)26(2)46-34-21-30(24-42-33(34)15-16-38-42)28-7-11-31(12-8-28)39-17-19-40(20-18-39)36(44)47-37(3,4)5;1-16(18-13-23(29)25-14-18)30-22-12-19(15-28-21(22)6-7-26-28)17-2-4-20(5-3-17)27-10-8-24-9-11-27;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/h7-16,21,24-26,29H,17-20,22-23H2,1-6H3;2-7,12,15-16,18,24H,8-11,13-14H2,1H3,(H,25,29);4-9,11,13-15,17H,10,12H2,1-3H3/t25-,26-,29-;16-,18-;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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 1503.65 g/mol, XLogP of 13.24, 19 rotatable bonds, 2 hydrogen bond donors, and 19 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-[4-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]phenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158532493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).