(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C64H84BClN12O8 — CID 158525111

About (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 158525111) has the molecular formula C64H84BClN12O8 and a molecular weight of 1195.72 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• PubChem CID: 158525111
• Molecular Formula: C64H84BClN12O8
• Molecular Weight: 1195.72 g/mol
• Exact Mass: 1194.63
• IUPAC Name: (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
• SMILES: CC(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4cnn(C(C)(C)C)c4)cc4nn(C)cc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3nc(Cl)cc4nn(C)cc34)CC2=O)cc1
• InChI: InChI=1S/C29H36N6O3.C22H25ClN4O3.C13H23BN2O2/c1-18(20-8-10-23(37-7)11-9-20)34-15-21(12-27(34)36)19(2)38-28-24-17-33(6)32-26(24)13-25(31-28)22-14-30-35(16-22)29(3,4)5;1-13(15-5-7-17(29-4)8-6-15)27-11-16(9-21(27)28)14(2)30-22-18-12-26(3)25-19(18)10-20(23)24-22;1-11(2,3)16-9-10(8-15-16)14-17-12(4,5)13(6,7)18-14/h8-11,13-14,16-19,21H,12,15H2,1-7H3;5-8,10,12-14,16H,9,11H2,1-4H3;8-9H,1-7H3/t18-,19+,21+;13-,14+,16+;/m00./s1
• InChIKey: HMRRYBGMOXFPCG-OHCVEXQGSA-N
• XLogP: 10.92
• TPSA: 193.06 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1195.72
LogP ≤ 5	10.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 158525111) is (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is CC(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3nc(-c4cnn(C(C)(C)C)c4)cc4nn(C)cc34)CC2=O)cc1.COc1ccc([C@H](C)N2C[C@H]([C@@H](C)Oc3nc(Cl)cc4nn(C)cc34)CC2=O)cc1.

What is the InChIKey of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

The InChIKey is HMRRYBGMOXFPCG-OHCVEXQGSA-N. The full InChI is InChI=1S/C29H36N6O3.C22H25ClN4O3.C13H23BN2O2/c1-18(20-8-10-23(37-7)11-9-20)34-15-21(12-27(34)36)19(2)38-28-24-17-33(6)32-26(24)13-25(31-28)22-14-30-35(16-22)29(3,4)5;1-13(15-5-7-17(29-4)8-6-15)27-11-16(9-21(27)28)14(2)30-22-18-12-26(3)25-19(18)10-20(23)24-22;1-11(2,3)16-9-10(8-15-16)14-17-12(4,5)13(6,7)18-14/h8-11,13-14,16-19,21H,12,15H2,1-7H3;5-8,10,12-14,16H,9,11H2,1-4H3;8-9H,1-7H3/t18-,19+,21+;13-,14+,16+;/m00./s1.

What are the key properties of (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?

(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 1195.72 g/mol, XLogP of 10.92, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-2-methylpyrazolo[4,3-c]pyridin-4-yl]oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one;1-tert-butyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;(4R)-4-[(1R)-1-(6-chloro-2-methylpyrazolo[4,3-c]pyridin-4-yl)oxyethyl]-1-[(1S)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 158525111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).