6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C131H128B3Br2ClN30O16 — CID 158668094

About 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158668094) has the molecular formula C131H128B3Br2ClN30O16 and a molecular weight of 2606.36 g/mol. Its IUPAC name is 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158668094
• Molecular Formula: C131H128B3Br2ClN30O16
• Molecular Weight: 2606.36 g/mol
• Exact Mass: 2602.85
• IUPAC Name: 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)OC(=O)N(c1ccc2[nH]ncc2c1)c1ccnc(-c2ccc3cc(C(=O)Cc4cnccn4)[nH]c3c2)n1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(C(=O)Cc4cnccn4)[nH]c3c2)OC1(C)C.Nc1cnccn1.O=C(Cc1cnccn1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.O=C(Cc1cnccn1)c1cc2ccc(Br)cc2[nH]1.O=C(O)c1cc2ccc(Br)cc2[nH]1
• InChI: InChI=1S/C30H26N8O3.C25H18N8O.C20H22BN3O3.C17H17ClN4O2.C14H10BrN3O.C12H24B2O4.C9H6BrNO2.C4H5N3/c1-30(2,3)41-29(40)38(22-6-7-23-20(12-22)16-34-37-23)27-8-9-33-28(36-27)19-5-4-18-13-25(35-24(18)14-19)26(39)15-21-17-31-10-11-32-21;34-23(12-19-14-26-7-8-27-19)22-10-15-1-2-16(11-21(15)31-22)25-28-6-5-24(32-25)30-18-3-4-20-17(9-18)13-29-33-20;1-19(2)20(3,4)27-21(26-19)14-6-5-13-9-17(24-16(13)10-14)18(25)11-15-12-22-7-8-23-15;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;15-10-2-1-9-5-13(18-12(9)6-10)14(19)7-11-8-16-3-4-17-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;5-4-3-6-1-2-7-4/h4-14,16-17,35H,15H2,1-3H3,(H,34,37);1-11,13-14,31H,12H2,(H,29,33)(H,28,30,32);5-10,12,24H,11H2,1-4H3;4-8,10H,9H2,1-3H3;1-6,8,18H,7H2;1-8H3;1-4,11H,(H,12,13);1-3H,(H2,5,7)
• InChIKey: IDPMOEAXJRHVIR-UHFFFAOYSA-N
• XLogP: 25.15
• TPSA: 613.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2606.36
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158668094) is 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)N(c1ccc2[nH]ncc2c1)c1ccnc(-c2ccc3cc(C(=O)Cc4cnccn4)[nH]c3c2)n1.CC(C)(C)OC(=O)N(c1ccc2c(c1)C=NC2)c1ccnc(Cl)n1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cc(C(=O)Cc4cnccn4)[nH]c3c2)OC1(C)C.Nc1cnccn1.O=C(Cc1cnccn1)c1cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2[nH]1.O=C(Cc1cnccn1)c1cc2ccc(Br)cc2[nH]1.O=C(O)c1cc2ccc(Br)cc2[nH]1.

What is the InChIKey of 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is IDPMOEAXJRHVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8O3.C25H18N8O.C20H22BN3O3.C17H17ClN4O2.C14H10BrN3O.C12H24B2O4.C9H6BrNO2.C4H5N3/c1-30(2,3)41-29(40)38(22-6-7-23-20(12-22)16-34-37-23)27-8-9-33-28(36-27)19-5-4-18-13-25(35-24(18)14-19)26(39)15-21-17-31-10-11-32-21;34-23(12-19-14-26-7-8-27-19)22-10-15-1-2-16(11-21(15)31-22)25-28-6-5-24(32-25)30-18-3-4-20-17(9-18)13-29-33-20;1-19(2)20(3,4)27-21(26-19)14-6-5-13-9-17(24-16(13)10-14)18(25)11-15-12-22-7-8-23-15;1-17(2,3)24-16(23)22(14-6-7-20-15(18)21-14)13-5-4-11-9-19-10-12(11)8-13;15-10-2-1-9-5-13(18-12(9)6-10)14(19)7-11-8-16-3-4-17-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-6-2-1-5-3-8(9(12)13)11-7(5)4-6;5-4-3-6-1-2-7-4/h4-14,16-17,35H,15H2,1-3H3,(H,34,37);1-11,13-14,31H,12H2,(H,29,33)(H,28,30,32);5-10,12,24H,11H2,1-4H3;4-8,10H,9H2,1-3H3;1-6,8,18H,7H2;1-8H3;1-4,11H,(H,12,13);1-3H,(H2,5,7).

What are the key properties of 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2606.36 g/mol, XLogP of 25.15, 23 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-indole-2-carboxylic acid;1-(6-bromo-1H-indol-2-yl)-2-pyrazin-2-ylethanone;tert-butyl N-(2-chloropyrimidin-4-yl)-N-(1H-isoindol-5-yl)carbamate;tert-butyl N-(1H-indazol-5-yl)-N-[2-[2-(2-pyrazin-2-ylacetyl)-1H-indol-6-yl]pyrimidin-4-yl]carbamate;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-1H-indol-2-yl]-2-pyrazin-2-ylethanone;pyrazin-2-amine;2-pyrazin-2-yl-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158668094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).