tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C115H135Cl2IN16O15 — CID 158304959

About tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 158304959) has the molecular formula C115H135Cl2IN16O15 and a molecular weight of 2179.25 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 158304959
• Molecular Formula: C115H135Cl2IN16O15
• Molecular Weight: 2179.25 g/mol
• Exact Mass: 2176.87
• IUPAC Name: tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• SMILES: COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C4CC4)cnn3c2)ccc1N1CCNCC1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(OC)c4)cn4ncc(C5CC5)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Cl)cn4ncc(C5CC5)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Cl)cn4ncc(I)c34)CC2=O)cc1
• InChI: InChI=1S/C41H51N5O6.C27H33N5O3.C25H28ClN3O3.C22H23ClIN3O3/c1-26(28-10-13-33(49-6)14-11-28)45-24-31(22-38(45)47)27(2)51-37-21-32(25-46-39(37)34(23-42-46)29-8-9-29)30-12-15-35(36(20-30)50-7)43-16-18-44(19-17-43)40(48)52-41(3,4)5;1-17(20-13-26(33)29-14-20)35-25-12-21(16-32-27(25)22(15-30-32)18-3-4-18)19-5-6-23(24(11-19)34-2)31-9-7-28-8-10-31;1-15(17-6-8-21(31-3)9-7-17)28-13-19(10-24(28)30)16(2)32-23-11-20(26)14-29-25(23)22(12-27-29)18-4-5-18;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/h10-15,20-21,23,25-27,29,31H,8-9,16-19,22,24H2,1-7H3;5-6,11-12,15-18,20,28H,3-4,7-10,13-14H2,1-2H3,(H,29,33);6-9,11-12,14-16,18-19H,4-5,10,13H2,1-3H3;4-7,9-10,12-14,16H,8,11H2,1-3H3/t26-,27-,31-;17-,20-;15-,16-,19-;13-,14-,16-/m1111/s1
• InChIKey: GMYRCXNGHWAAGT-YNBBCXJVSA-N
• XLogP: 20.76
• TPSA: 290.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.25
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 158304959) is tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C4CC4)cnn3c2)ccc1N1CCNCC1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)c(OC)c4)cn4ncc(C5CC5)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Cl)cn4ncc(C5CC5)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3cc(Cl)cn4ncc(I)c34)CC2=O)cc1.

What is the InChIKey of tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is GMYRCXNGHWAAGT-YNBBCXJVSA-N. The full InChI is InChI=1S/C41H51N5O6.C27H33N5O3.C25H28ClN3O3.C22H23ClIN3O3/c1-26(28-10-13-33(49-6)14-11-28)45-24-31(22-38(45)47)27(2)51-37-21-32(25-46-39(37)34(23-42-46)29-8-9-29)30-12-15-35(36(20-30)50-7)43-16-18-44(19-17-43)40(48)52-41(3,4)5;1-17(20-13-26(33)29-14-20)35-25-12-21(16-32-27(25)22(15-30-32)18-3-4-18)19-5-6-23(24(11-19)34-2)31-9-7-28-8-10-31;1-15(17-6-8-21(31-3)9-7-17)28-13-19(10-24(28)30)16(2)32-23-11-20(26)14-29-25(23)22(12-27-29)18-4-5-18;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/h10-15,20-21,23,25-27,29,31H,8-9,16-19,22,24H2,1-7H3;5-6,11-12,15-18,20,28H,3-4,7-10,13-14H2,1-2H3,(H,29,33);6-9,11-12,14-16,18-19H,4-5,10,13H2,1-3H3;4-7,9-10,12-14,16H,8,11H2,1-3H3/t26-,27-,31-;17-,20-;15-,16-,19-;13-,14-,16-/m1111/s1.

What are the key properties of tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 2179.25 g/mol, XLogP of 20.76, 30 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[3-cyclopropyl-4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridin-6-yl]-2-methoxyphenyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-cyclopropylpyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(6-chloro-3-iodopyrazolo[1,5-a]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-cyclopropyl-6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158304959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).