2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol

C102H116BBrN22O9 — CID 158452356

About 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol

2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol (PubChem CID 158452356) has the molecular formula C102H116BBrN22O9 and a molecular weight of 1884.91 g/mol. Its IUPAC name is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol
• PubChem CID: 158452356
• Molecular Formula: C102H116BBrN22O9
• Molecular Weight: 1884.91 g/mol
• Exact Mass: 1882.86
• IUPAC Name: 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol
• SMILES: Brc1cnc2[nH]ccc2n1.CC1(C)C=C(n2ccc3nc(-c4ccc(-c5cn[nH]c5)cc4O)cnc32)CC(C)(C)N1.COc1cc(-c2cnn(C3CCCCO3)c2)ccc1-c1cnc2[nH]ccc2n1.COc1cc(-c2cnn(C3CCCCO3)c2)ccc1-c1cnc2c(ccn2C2=CC(C)(C)NC(C)(C)C2)n1.COc1cc(-c2cnn(C3CCCCO3)c2)ccc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C30H36N6O2.C24H26N6O.C21H29BN2O4.C21H21N5O2.C6H4BrN3/c1-29(2)15-22(16-30(3,4)34-29)35-12-11-24-28(35)31-18-25(33-24)23-10-9-20(14-26(23)37-5)21-17-32-36(19-21)27-8-6-7-13-38-27;1-23(2)10-17(11-24(3,4)29-23)30-8-7-19-22(30)25-14-20(28-19)18-6-5-15(9-21(18)31)16-12-26-27-13-16;1-20(2)21(3,4)28-22(27-20)17-10-9-15(12-18(17)25-5)16-13-23-24(14-16)19-8-6-7-11-26-19;1-27-19-10-14(15-11-24-26(13-15)20-4-2-3-9-28-20)5-6-16(19)18-12-23-21-17(25-18)7-8-22-21;7-5-3-9-6-4(10-5)1-2-8-6/h9-12,14-15,17-19,27,34H,6-8,13,16H2,1-5H3;5-10,12-14,29,31H,11H2,1-4H3,(H,26,27);9-10,12-14,19H,6-8,11H2,1-5H3;5-8,10-13,20H,2-4,9H2,1H3,(H,22,23);1-3H,(H,8,9)
• InChIKey: HEDQCUGWJYIMMP-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 344.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.91
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol?

The IUPAC name of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol (CID 158452356) is 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol.

What is the SMILES notation for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol?

The canonical SMILES for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol is Brc1cnc2[nH]ccc2n1.CC1(C)C=C(n2ccc3nc(-c4ccc(-c5cn[nH]c5)cc4O)cnc32)CC(C)(C)N1.COc1cc(-c2cnn(C3CCCCO3)c2)ccc1-c1cnc2[nH]ccc2n1.COc1cc(-c2cnn(C3CCCCO3)c2)ccc1-c1cnc2c(ccn2C2=CC(C)(C)NC(C)(C)C2)n1.COc1cc(-c2cnn(C3CCCCO3)c2)ccc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol?

The InChIKey is HEDQCUGWJYIMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O2.C24H26N6O.C21H29BN2O4.C21H21N5O2.C6H4BrN3/c1-29(2)15-22(16-30(3,4)34-29)35-12-11-24-28(35)31-18-25(33-24)23-10-9-20(14-26(23)37-5)21-17-32-36(19-21)27-8-6-7-13-38-27;1-23(2)10-17(11-24(3,4)29-23)30-8-7-19-22(30)25-14-20(28-19)18-6-5-15(9-21(18)31)16-12-26-27-13-16;1-20(2)21(3,4)28-22(27-20)17-10-9-15(12-18(17)25-5)16-13-23-24(14-16)19-8-6-7-11-26-19;1-27-19-10-14(15-11-24-26(13-15)20-4-2-3-9-28-20)5-6-16(19)18-12-23-21-17(25-18)7-8-22-21;7-5-3-9-6-4(10-5)1-2-8-6/h9-12,14-15,17-19,27,34H,6-8,13,16H2,1-5H3;5-10,12-14,29,31H,11H2,1-4H3,(H,26,27);9-10,12-14,19H,6-8,11H2,1-5H3;5-8,10-13,20H,2-4,9H2,1H3,(H,22,23);1-3H,(H,8,9).

What are the key properties of 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol?

2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol has a molecular weight of 1884.91 g/mol, XLogP of 20.12, 16 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazine;2-[2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazine;4-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-(oxan-2-yl)pyrazole;5-(1H-pyrazol-4-yl)-2-[5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrrolo[2,3-b]pyrazin-2-yl]phenol is sourced from PubChem (CID 158452356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).