7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride

C47H41Br4ClF4N12O9 — CID 158196284

About 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride

7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 158196284) has the molecular formula C47H41Br4ClF4N12O9 and a molecular weight of 1348.98 g/mol. Its IUPAC name is 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride
• PubChem CID: 158196284
• Molecular Formula: C47H41Br4ClF4N12O9
• Molecular Weight: 1348.98 g/mol
• Exact Mass: 1343.95
• IUPAC Name: 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)c2c[nH]c3c(Br)ncc(F)c23)CC1.Cl.Fc1cnc(Br)c2[nH]ccc12.O=C(C(=O)N1CCNCC1)c1c[nH]c2c(Br)ncc(F)c12.O=C(O)C(=O)c1c[nH]c2c(Br)ncc(F)c12
• InChI: InChI=1S/C18H20BrFN4O4.C13H12BrFN4O2.C9H4BrFN2O3.C7H4BrFN2.ClH/c1-18(2,3)28-17(27)24-6-4-23(5-7-24)16(26)14(25)10-8-21-13-12(10)11(20)9-22-15(13)19;14-12-10-9(8(15)6-18-12)7(5-17-10)11(20)13(21)19-3-1-16-2-4-19;10-8-6-5(4(11)2-13-8)3(1-12-6)7(14)9(15)16;8-7-6-4(1-2-10-6)5(9)3-11-7;/h8-9,21H,4-7H2,1-3H3;5-6,16-17H,1-4H2;1-2,12H,(H,15,16);1-3,10H;1H
• InChIKey: LBFVKHQDZRCBRS-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 285.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1348.98
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride?

The IUPAC name of 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride (CID 158196284) is 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride.

What is the SMILES notation for 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride?

The canonical SMILES for 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCN(C(=O)C(=O)c2c[nH]c3c(Br)ncc(F)c23)CC1.Cl.Fc1cnc(Br)c2[nH]ccc12.O=C(C(=O)N1CCNCC1)c1c[nH]c2c(Br)ncc(F)c12.O=C(O)C(=O)c1c[nH]c2c(Br)ncc(F)c12.

What is the InChIKey of 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride?

The InChIKey is LBFVKHQDZRCBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFN4O4.C13H12BrFN4O2.C9H4BrFN2O3.C7H4BrFN2.ClH/c1-18(2,3)28-17(27)24-6-4-23(5-7-24)16(26)14(25)10-8-21-13-12(10)11(20)9-22-15(13)19;14-12-10-9(8(15)6-18-12)7(5-17-10)11(20)13(21)19-3-1-16-2-4-19;10-8-6-5(4(11)2-13-8)3(1-12-6)7(14)9(15)16;8-7-6-4(1-2-10-6)5(9)3-11-7;/h8-9,21H,4-7H2,1-3H3;5-6,16-17H,1-4H2;1-2,12H,(H,15,16);1-3,10H;1H.

What are the key properties of 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride?

7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 1348.98 g/mol, XLogP of 8.42, 6 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridine;2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetic acid;1-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione;tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 158196284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).