3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide

C61H74BBrN10O10 — CID 158532742

About 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide

3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide (PubChem CID 158532742) has the molecular formula C61H74BBrN10O10 and a molecular weight of 1198.04 g/mol. Its IUPAC name is 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide
• PubChem CID: 158532742
• Molecular Formula: C61H74BBrN10O10
• Molecular Weight: 1198.04 g/mol
• Exact Mass: 1196.49
• IUPAC Name: 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide
• SMILES: CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CNC(=O)c1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC23CCOCC3)c1.CNC(=O)c1cccc(CN2C(=O)N(c3ccc(Br)cc3)CC23CCOCC3)c1
• InChI: InChI=1S/C25H27N5O3.C22H24BrN3O3.C14H23BN2O4/c1-26-23(31)20-4-2-3-18(13-20)16-30-24(32)29(17-25(30)9-11-33-12-10-25)22-7-5-19(6-8-22)21-14-27-28-15-21;1-24-20(27)17-4-2-3-16(13-17)14-26-21(28)25(19-7-5-18(23)6-8-19)15-22(26)9-11-29-12-10-22;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h2-8,13-15H,9-12,16-17H2,1H3,(H,26,31)(H,27,28);2-8,13H,9-12,14-15H2,1H3,(H,24,27);8-9H,1-7H3
• InChIKey: HNOMYVMOFQJAOL-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 215.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.04
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide?

The IUPAC name of 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide (CID 158532742) is 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide.

What is the SMILES notation for 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide?

The canonical SMILES for 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide is CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.CNC(=O)c1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC23CCOCC3)c1.CNC(=O)c1cccc(CN2C(=O)N(c3ccc(Br)cc3)CC23CCOCC3)c1.

What is the InChIKey of 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide?

The InChIKey is HNOMYVMOFQJAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3.C22H24BrN3O3.C14H23BN2O4/c1-26-23(31)20-4-2-3-18(13-20)16-30-24(32)29(17-25(30)9-11-33-12-10-25)22-7-5-19(6-8-22)21-14-27-28-15-21;1-24-20(27)17-4-2-3-16(13-17)14-26-21(28)25(19-7-5-18(23)6-8-19)15-22(26)9-11-29-12-10-22;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h2-8,13-15H,9-12,16-17H2,1H3,(H,26,31)(H,27,28);2-8,13H,9-12,14-15H2,1H3,(H,24,27);8-9H,1-7H3.

What are the key properties of 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide?

3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide has a molecular weight of 1198.04 g/mol, XLogP of 9.19, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(4-bromophenyl)-2-oxo-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]-N-methylbenzamide;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;N-methyl-3-[[2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]-8-oxa-1,3-diazaspiro[4.5]decan-1-yl]methyl]benzamide is sourced from PubChem (CID 158532742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).