N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid

C86H82BN17O10 — CID 159511709

About N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid

N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid (PubChem CID 159511709) has the molecular formula C86H82BN17O10 and a molecular weight of 1524.52 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid.

Molecular Properties

• Compound Name: N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid
• PubChem CID: 159511709
• Molecular Formula: C86H82BN17O10
• Molecular Weight: 1524.52 g/mol
• Exact Mass: 1523.65
• IUPAC Name: N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid
• SMILES: CN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1.COC(=O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1.COC(=O)c1ccc2c(c1)N(c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)CC21CC1.O=C(O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1
• InChI: InChI=1S/C23H22N6O2.C22H26BN3O4.C21H18N4O2.C20H16N4O2/c1-28(13-20(24)30)21(31)15-5-6-17-19(10-15)29(14-23(17)7-8-23)22-26-11-16(12-27-22)18-4-2-3-9-25-18;1-20(2)21(3,4)30-23(29-20)15-11-24-19(25-12-15)26-13-22(8-9-22)16-7-6-14(10-17(16)26)18(27)28-5;1-27-19(26)14-5-6-16-18(10-14)25(13-21(16)7-8-21)20-23-11-15(12-24-20)17-4-2-3-9-22-17;25-18(26)13-4-5-15-17(9-13)24(12-20(15)6-7-20)19-22-10-14(11-23-19)16-3-1-2-8-21-16/h2-6,9-12H,7-8,13-14H2,1H3,(H2,24,30);6-7,10-12H,8-9,13H2,1-5H3;2-6,9-12H,7-8,13H2,1H3;1-5,8-11H,6-7,12H2,(H,25,26)
• InChIKey: MARLPELWAHOSAB-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 326.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.52
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid?

The IUPAC name of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid (CID 159511709) is N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid.

What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid?

The canonical SMILES for N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid is CN(CC(N)=O)C(=O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1.COC(=O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1.COC(=O)c1ccc2c(c1)N(c1ncc(B3OC(C)(C)C(C)(C)O3)cn1)CC21CC1.O=C(O)c1ccc2c(c1)N(c1ncc(-c3ccccn3)cn1)CC21CC1.

What is the InChIKey of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid?

The InChIKey is MARLPELWAHOSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.C22H26BN3O4.C21H18N4O2.C20H16N4O2/c1-28(13-20(24)30)21(31)15-5-6-17-19(10-15)29(14-23(17)7-8-23)22-26-11-16(12-27-22)18-4-2-3-9-25-18;1-20(2)21(3,4)30-23(29-20)15-11-24-19(25-12-15)26-13-22(8-9-22)16-7-6-14(10-17(16)26)18(27)28-5;1-27-19(26)14-5-6-16-18(10-14)25(13-21(16)7-8-21)20-23-11-15(12-24-20)17-4-2-3-9-22-17;25-18(26)13-4-5-15-17(9-13)24(12-20(15)6-7-20)19-22-10-14(11-23-19)16-3-1-2-8-21-16/h2-6,9-12H,7-8,13-14H2,1H3,(H2,24,30);6-7,10-12H,8-9,13H2,1-5H3;2-6,9-12H,7-8,13H2,1H3;1-5,8-11H,6-7,12H2,(H,25,26).

What are the key properties of N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid?

N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid has a molecular weight of 1524.52 g/mol, XLogP of 11.95, 14 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-oxoethyl)-N-methyl-1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxamide;methyl 1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;methyl 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]spiro[2H-indole-3,1'-cyclopropane]-6-carboxylate;1-(5-pyridin-2-ylpyrimidin-2-yl)spiro[2H-indole-3,1'-cyclopropane]-6-carboxylic acid is sourced from PubChem (CID 159511709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).