tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C80H97ClN18O10 — CID 158913146

About tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 158913146) has the molecular formula C80H97ClN18O10 and a molecular weight of 1506.22 g/mol. Its IUPAC name is tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 158913146
• Molecular Formula: C80H97ClN18O10
• Molecular Weight: 1506.22 g/mol
• Exact Mass: 1504.73
• IUPAC Name: tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
• SMILES: COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)cc4ncn(C)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(Cl)cc4ncn(C)c34)CC2=O)cc1.C[C@@H](Oc1nc(-c2ccc(N3CCNCC3)cn2)cc2ncn(C)c12)[C@H]1CNC(=O)C1
• InChI: InChI=1S/C36H45N7O5.C22H25ClN4O3.C22H27N7O2/c1-23(25-8-11-28(46-7)12-9-25)43-21-26(18-32(43)44)24(2)47-34-33-31(38-22-40(33)6)19-30(39-34)29-13-10-27(20-37-29)41-14-16-42(17-15-41)35(45)48-36(3,4)5;1-13(15-5-7-17(29-4)8-6-15)27-11-16(9-20(27)28)14(2)30-22-21-18(10-19(23)25-22)24-12-26(21)3;1-14(15-9-20(30)25-11-15)31-22-21-19(26-13-28(21)2)10-18(27-22)17-4-3-16(12-24-17)29-7-5-23-6-8-29/h8-13,19-20,22-24,26H,14-18,21H2,1-7H3;5-8,10,12-14,16H,9,11H2,1-4H3;3-4,10,12-15,23H,5-9,11H2,1-2H3,(H,25,30)/t23-,24-,26-;13-,14-,16-;14-,15-/m111/s1
• InChIKey: JGXBKBFUZAUNQM-ACBYJEEASA-N
• XLogP: 10.82
• TPSA: 281.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1506.22
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 158913146) is tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)cc4ncn(C)c34)CC2=O)cc1.COc1ccc([C@@H](C)N2C[C@H]([C@@H](C)Oc3nc(Cl)cc4ncn(C)c34)CC2=O)cc1.C[C@@H](Oc1nc(-c2ccc(N3CCNCC3)cn2)cc2ncn(C)c12)[C@H]1CNC(=O)C1.

What is the InChIKey of tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is JGXBKBFUZAUNQM-ACBYJEEASA-N. The full InChI is InChI=1S/C36H45N7O5.C22H25ClN4O3.C22H27N7O2/c1-23(25-8-11-28(46-7)12-9-25)43-21-26(18-32(43)44)24(2)47-34-33-31(38-22-40(33)6)19-30(39-34)29-13-10-27(20-37-29)41-14-16-42(17-15-41)35(45)48-36(3,4)5;1-13(15-5-7-17(29-4)8-6-15)27-11-16(9-20(27)28)14(2)30-22-21-18(10-19(23)25-22)24-12-26(21)3;1-14(15-9-20(30)25-11-15)31-22-21-19(26-13-28(21)2)10-18(27-22)17-4-3-16(12-24-17)29-7-5-23-6-8-29/h8-13,19-20,22-24,26H,14-18,21H2,1-7H3;5-8,10,12-14,16H,9,11H2,1-4H3;3-4,10,12-15,23H,5-9,11H2,1-2H3,(H,25,30)/t23-,24-,26-;13-,14-,16-;14-,15-/m111/s1.

What are the key properties of tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?

tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 1506.22 g/mol, XLogP of 10.82, 19 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-[4-[(1R)-1-[(3R)-1-[(1R)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]ethoxy]-3-methylimidazo[4,5-c]pyridin-6-yl]-3-pyridinyl]piperazine-1-carboxylate;(4R)-4-[(1R)-1-(6-chloro-3-methylimidazo[4,5-c]pyridin-4-yl)oxyethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-methyl-6-(5-piperazin-1-yl-2-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158913146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).