1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one

C103H103BCl3N21O8 — CID 158100613

About 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one

1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one (PubChem CID 158100613) has the molecular formula C103H103BCl3N21O8 and a molecular weight of 1880.27 g/mol. Its IUPAC name is 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one
• PubChem CID: 158100613
• Molecular Formula: C103H103BCl3N21O8
• Molecular Weight: 1880.27 g/mol
• Exact Mass: 1877.75
• IUPAC Name: 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one
• SMILES: CC1=NCc2ncc(-c3cncc(Cc4cccc(N5CCCC5=O)c4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(Cc5cccc(N6CCCC6=O)c5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.Clc1cncc(Cl)n1.Nc1cccc(N2CCCC2=O)c1.O=C1CCCN1c1cccc(Cc2cncc(Cl)n2)c1
• InChI: InChI=1S/C30H28N6O2.C23H21N5O.C21H26BN3O3.C15H14ClN3O.C10H12N2O.C4H2Cl2N2/c1-20-27-15-23(16-32-30(27)36(34-20)19-21-8-10-26(38-2)11-9-21)28-18-31-17-24(33-28)13-22-5-3-6-25(14-22)35-12-4-7-29(35)37;1-15-20-10-17(11-26-22(20)14-25-15)21-13-24-12-18(27-21)8-16-4-2-5-19(9-16)28-7-3-6-23(28)29;1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;16-14-10-17-9-12(18-14)7-11-3-1-4-13(8-11)19-6-2-5-15(19)20;11-8-3-1-4-9(7-8)12-6-2-5-10(12)13;5-3-1-7-2-4(6)8-3/h3,5-6,8-11,14-18H,4,7,12-13,19H2,1-2H3;2,4-5,9-13H,3,6-8,14H2,1H3;7-12H,13H2,1-6H3;1,3-4,8-10H,2,5-7H2;1,3-4,7H,2,5-6,11H2;1-2H
• InChIKey: FPFDTTVWQGUBSC-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 333.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1880.27
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one?

The IUPAC name of 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one (CID 158100613) is 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one is CC1=NCc2ncc(-c3cncc(Cc4cccc(N5CCCC5=O)c4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(Cc5cccc(N6CCCC6=O)c5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.Clc1cncc(Cl)n1.Nc1cccc(N2CCCC2=O)c1.O=C1CCCN1c1cccc(Cc2cncc(Cl)n2)c1.

What is the InChIKey of 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one?

The InChIKey is FPFDTTVWQGUBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2.C23H21N5O.C21H26BN3O3.C15H14ClN3O.C10H12N2O.C4H2Cl2N2/c1-20-27-15-23(16-32-30(27)36(34-20)19-21-8-10-26(38-2)11-9-21)28-18-31-17-24(33-28)13-22-5-3-6-25(14-22)35-12-4-7-29(35)37;1-15-20-10-17(11-26-22(20)14-25-15)21-13-24-12-18(27-21)8-16-4-2-5-19(9-16)28-7-3-6-23(28)29;1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;16-14-10-17-9-12(18-14)7-11-3-1-4-13(8-11)19-6-2-5-15(19)20;11-8-3-1-4-9(7-8)12-6-2-5-10(12)13;5-3-1-7-2-4(6)8-3/h3,5-6,8-11,14-18H,4,7,12-13,19H2,1-2H3;2,4-5,9-13H,3,6-8,14H2,1H3;7-12H,13H2,1-6H3;1,3-4,8-10H,2,5-7H2;1,3-4,7H,2,5-6,11H2;1-2H.

What are the key properties of 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one?

1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 1880.27 g/mol, XLogP of 17.67, 19 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-aminophenyl)pyrrolidin-2-one;1-[3-[(6-chloropyrazin-2-yl)methyl]phenyl]pyrrolidin-2-one;2,6-dichloropyrazine;1-[3-[[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-[3-[[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 158100613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).