2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine

C76H80BCl3F8N20O4 — CID 159483819

About 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 159483819) has the molecular formula C76H80BCl3F8N20O4 and a molecular weight of 1606.77 g/mol. Its IUPAC name is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
• PubChem CID: 159483819
• Molecular Formula: C76H80BCl3F8N20O4
• Molecular Weight: 1606.77 g/mol
• Exact Mass: 1604.57
• IUPAC Name: 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
• SMILES: CC1=NCc2ncc(-c3cncc(N4CCC(F)(F)C4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCC(F)(F)C5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.Clc1cncc(Cl)n1.FC1(F)CCN(c2cncc(Cl)n2)C1.FC1(F)CCNC1
• InChI: InChI=1S/C23H22F2N6O.C21H26BN3O3.C16H15F2N5.C8H8ClF2N3.C4H2Cl2N2.C4H7F2N/c1-15-19-9-17(20-11-26-12-21(28-20)30-8-7-23(24,25)14-30)10-27-22(19)31(29-15)13-16-3-5-18(32-2)6-4-16;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;1-10-12-4-11(5-21-14(12)7-20-10)13-6-19-8-15(22-13)23-3-2-16(17,18)9-23;9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14;5-3-1-7-2-4(6)8-3;5-4(6)1-2-7-3-4/h3-6,9-12H,7-8,13-14H2,1-2H3;7-12H,13H2,1-6H3;4-6,8H,2-3,7,9H2,1H3;3-4H,1-2,5H2;1-2H;7H,1-3H2
• InChIKey: LXIHRVFNQZMOFA-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 248.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1606.77
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

The IUPAC name of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (CID 159483819) is 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.

What is the SMILES notation for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

The canonical SMILES for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is CC1=NCc2ncc(-c3cncc(N4CCC(F)(F)C4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCC(F)(F)C5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.Clc1cncc(Cl)n1.FC1(F)CCN(c2cncc(Cl)n2)C1.FC1(F)CCNC1.

What is the InChIKey of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

The InChIKey is LXIHRVFNQZMOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N6O.C21H26BN3O3.C16H15F2N5.C8H8ClF2N3.C4H2Cl2N2.C4H7F2N/c1-15-19-9-17(20-11-26-12-21(28-20)30-8-7-23(24,25)14-30)10-27-22(19)31(29-15)13-16-3-5-18(32-2)6-4-16;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;1-10-12-4-11(5-21-14(12)7-20-10)13-6-19-8-15(22-13)23-3-2-16(17,18)9-23;9-6-3-12-4-7(13-6)14-2-1-8(10,11)5-14;5-3-1-7-2-4(6)8-3;5-4(6)1-2-7-3-4/h3-6,9-12H,7-8,13-14H2,1-2H3;7-12H,13H2,1-6H3;4-6,8H,2-3,7,9H2,1H3;3-4H,1-2,5H2;1-2H;7H,1-3H2.

What are the key properties of 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 1606.77 g/mol, XLogP of 14.28, 12 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyrazine;2,6-dichloropyrazine;3,3-difluoropyrrolidine;5-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridine;3-[6-(3,3-difluoropyrrolidin-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 159483819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).