5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine

C73H68B2BrF12N9O10 — CID 158580535

About 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine

5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine (PubChem CID 158580535) has the molecular formula C73H68B2BrF12N9O10 and a molecular weight of 1560.90 g/mol. Its IUPAC name is 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

• Compound Name: 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine
• PubChem CID: 158580535
• Molecular Formula: C73H68B2BrF12N9O10
• Molecular Weight: 1560.90 g/mol
• Exact Mass: 1559.43
• IUPAC Name: 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine
• SMILES: CC1(C)OB(c2ccc(CC(=O)Nc3cncc(C(F)(F)F)c3)c(F)c2)OC1(C)C.CC1(C)OB(c2ccc(CC(=O)O)c(F)c2)OC1(C)C.Nc1cncc(C(F)(F)F)c1.O=C(Cc1ccc(-c2cnc3c(c2)C2(CC2)C(=O)C3)cc1F)Nc1cncc(C(F)(F)F)c1.O=C1Nc2ncc(Br)cc2C12CC2
• InChI: InChI=1S/C24H17F4N3O2.C20H21BF4N2O3.C14H18BFO4.C9H7BrN2O.C6H5F3N2/c25-19-6-13(15-5-18-20(30-10-15)9-21(32)23(18)3-4-23)1-2-14(19)7-22(33)31-17-8-16(11-29-12-17)24(26,27)28;1-18(2)19(3,4)30-21(29-18)14-6-5-12(16(22)9-14)7-17(28)27-15-8-13(10-26-11-15)20(23,24)25;1-13(2)14(3,4)20-15(19-13)10-6-5-9(7-12(17)18)11(16)8-10;10-5-3-6-7(11-4-5)12-8(13)9(6)1-2-9;7-6(8,9)4-1-5(10)3-11-2-4/h1-2,5-6,8,10-12H,3-4,7,9H2,(H,31,33);5-6,8-11H,7H2,1-4H3,(H,27,28);5-6,8H,7H2,1-4H3,(H,17,18);3-4H,1-2H2,(H,11,12,13);1-3H,10H2
• InChIKey: HTEWPOVHCLEURO-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 269.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1560.90
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine?

The IUPAC name of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine (CID 158580535) is 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine.

What is the SMILES notation for 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine?

The canonical SMILES for 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine is CC1(C)OB(c2ccc(CC(=O)Nc3cncc(C(F)(F)F)c3)c(F)c2)OC1(C)C.CC1(C)OB(c2ccc(CC(=O)O)c(F)c2)OC1(C)C.Nc1cncc(C(F)(F)F)c1.O=C(Cc1ccc(-c2cnc3c(c2)C2(CC2)C(=O)C3)cc1F)Nc1cncc(C(F)(F)F)c1.O=C1Nc2ncc(Br)cc2C12CC2.

What is the InChIKey of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine?

The InChIKey is HTEWPOVHCLEURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2.C20H21BF4N2O3.C14H18BFO4.C9H7BrN2O.C6H5F3N2/c25-19-6-13(15-5-18-20(30-10-15)9-21(32)23(18)3-4-23)1-2-14(19)7-22(33)31-17-8-16(11-29-12-17)24(26,27)28;1-18(2)19(3,4)30-21(29-18)14-6-5-12(16(22)9-14)7-17(28)27-15-8-13(10-26-11-15)20(23,24)25;1-13(2)14(3,4)20-15(19-13)10-6-5-9(7-12(17)18)11(16)8-10;10-5-3-6-7(11-4-5)12-8(13)9(6)1-2-9;7-6(8,9)4-1-5(10)3-11-2-4/h1-2,5-6,8,10-12H,3-4,7,9H2,(H,31,33);5-6,8-11H,7H2,1-4H3,(H,27,28);5-6,8H,7H2,1-4H3,(H,17,18);3-4H,1-2H2,(H,11,12,13);1-3H,10H2.

What are the key properties of 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine?

5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 1560.90 g/mol, XLogP of 13.62, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromospiro[1H-pyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-2-one;2-[2-fluoro-4-(6-oxospiro[7H-cyclopenta[b]pyridine-5,1'-cyclopropane]-3-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid;2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide;5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 158580535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).