1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine

C99H85BBr5N19O11S2 — CID 160811637

About 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine

1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine (PubChem CID 160811637) has the molecular formula C99H85BBr5N19O11S2 and a molecular weight of 2191.36 g/mol. Its IUPAC name is 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine
• PubChem CID: 160811637
• Molecular Formula: C99H85BBr5N19O11S2
• Molecular Weight: 2191.36 g/mol
• Exact Mass: 2185.21
• IUPAC Name: 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine
• SMILES: Brc1cnc2c(c1)C=CC2.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3cnn(Cc4ccccc4)c3)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3cnn(Cc4ccccc4)c3)c3cc(Br)cnc32)cc1.NC1=CCc2ncc(Br)cc21.O=C(NC1=CCc2ncc(Br)cc21)c1cnn(Cc2ccccc2)c1.O=[N+]([O-])C1=CCc2ncc(Br)cc21
• InChI: InChI=1S/C31H32BN5O5S.C25H20BrN5O3S.C19H15BrN4O.C8H5BrN2O2.C8H7BrN2.C8H6BrN/c1-21-11-13-25(14-12-21)43(39,40)37-20-27(35-29(38)23-16-34-36(19-23)18-22-9-7-6-8-10-22)26-15-24(17-33-28(26)37)32-41-30(2,3)31(4,5)42-32;1-17-7-9-21(10-8-17)35(33,34)31-16-23(22-11-20(26)13-27-24(22)31)29-25(32)19-12-28-30(15-19)14-18-5-3-2-4-6-18;20-15-8-16-17(21-10-15)6-7-18(16)23-19(25)14-9-22-24(12-14)11-13-4-2-1-3-5-13;9-5-3-6-7(10-4-5)1-2-8(6)11(12)13;9-5-3-6-7(10)1-2-8(6)11-4-5;9-7-4-6-2-1-3-8(6)10-5-7/h6-17,19-20H,18H2,1-5H3,(H,35,38);2-13,15-16H,14H2,1H3,(H,29,32);1-5,7-10,12H,6,11H2,(H,23,25);2-4H,1H2;1,3-4H,2,10H2;1-2,4-5H,3H2
• InChIKey: SEJHUXCJGQAVDN-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 383.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.36
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine?

The IUPAC name of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine (CID 160811637) is 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine.

What is the SMILES notation for 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine?

The canonical SMILES for 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine is Brc1cnc2c(c1)C=CC2.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3cnn(Cc4ccccc4)c3)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.Cc1ccc(S(=O)(=O)n2cc(NC(=O)c3cnn(Cc4ccccc4)c3)c3cc(Br)cnc32)cc1.NC1=CCc2ncc(Br)cc21.O=C(NC1=CCc2ncc(Br)cc21)c1cnn(Cc2ccccc2)c1.O=[N+]([O-])C1=CCc2ncc(Br)cc21.

What is the InChIKey of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine?

The InChIKey is SEJHUXCJGQAVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32BN5O5S.C25H20BrN5O3S.C19H15BrN4O.C8H5BrN2O2.C8H7BrN2.C8H6BrN/c1-21-11-13-25(14-12-21)43(39,40)37-20-27(35-29(38)23-16-34-36(19-23)18-22-9-7-6-8-10-22)26-15-24(17-33-28(26)37)32-41-30(2,3)31(4,5)42-32;1-17-7-9-21(10-8-17)35(33,34)31-16-23(22-11-20(26)13-27-24(22)31)29-25(32)19-12-28-30(15-19)14-18-5-3-2-4-6-18;20-15-8-16-17(21-10-15)6-7-18(16)23-19(25)14-9-22-24(12-14)11-13-4-2-1-3-5-13;9-5-3-6-7(10-4-5)1-2-8(6)11(12)13;9-5-3-6-7(10)1-2-8(6)11-4-5;9-7-4-6-2-1-3-8(6)10-5-7/h6-17,19-20H,18H2,1-5H3,(H,35,38);2-13,15-16H,14H2,1H3,(H,29,32);1-5,7-10,12H,6,11H2,(H,23,25);2-4H,1H2;1,3-4H,2,10H2;1-2,4-5H,3H2.

What are the key properties of 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine?

1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine has a molecular weight of 2191.36 g/mol, XLogP of 18.77, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-(3-bromo-7H-cyclopenta[b]pyridin-5-yl)pyrazole-4-carboxamide;1-benzyl-N-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;3-bromo-7H-cyclopenta[b]pyridin-5-amine;3-bromo-7H-cyclopenta[b]pyridine;3-bromo-5-nitro-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 160811637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).