3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

C110H135BBr2FN15O11S3 — CID 163626688

About 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one

3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163626688) has the molecular formula C110H135BBr2FN15O11S3 and a molecular weight of 2129.20 g/mol. Its IUPAC name is 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
• PubChem CID: 163626688
• Molecular Formula: C110H135BBr2FN15O11S3
• Molecular Weight: 2129.20 g/mol
• Exact Mass: 2125.81
• IUPAC Name: 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one
• SMILES: Brc1ccc(N2CCC3(CCCCC3)CC2)nc1.C1CCC2(CC1)CCNCC2.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCCCC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCNCC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Fc1ccc(Br)cn1
• InChI: InChI=1S/C30H34N4O3S.C29H33N5O3S.C21H25BN2O5S.C15H21BrN2.C10H19N.C5H3BrFN/c1-22-6-9-24(10-7-22)38(36,37)34-17-12-25-26(21-32(2)29(35)28(25)34)23-8-11-27(31-20-23)33-18-15-30(16-19-33)13-4-3-5-14-30;1-21-3-6-23(7-4-21)38(36,37)34-16-9-24-25(20-32(2)28(35)27(24)34)22-5-8-26(31-19-22)33-17-12-29(13-18-33)10-14-30-15-11-29;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;16-13-4-5-14(17-12-13)18-10-8-15(9-11-18)6-2-1-3-7-15;1-2-4-10(5-3-1)6-8-11-9-7-10;6-4-1-2-5(7)8-3-4/h6-12,17,20-21H,3-5,13-16,18-19H2,1-2H3;3-9,16,19-20,30H,10-15,17-18H2,1-2H3;7-13H,1-6H3;4-5,12H,1-3,6-11H2;11H,1-9H2;1-3H
• InChIKey: HSPVQRWZOWOZOV-UHFFFAOYSA-N
• XLogP: 20.30
• TPSA: 287.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.20
LogP ≤ 5	20.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

The IUPAC name of 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one (CID 163626688) is 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one.

What is the SMILES notation for 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

The canonical SMILES for 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is Brc1ccc(N2CCC3(CCCCC3)CC2)nc1.C1CCC2(CC1)CCNCC2.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCCCC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCNCC6)CC5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(B4OC(C)(C)C(C)(C)O4)cn(C)c(=O)c32)cc1.Fc1ccc(Br)cn1.

What is the InChIKey of 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

The InChIKey is HSPVQRWZOWOZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3S.C29H33N5O3S.C21H25BN2O5S.C15H21BrN2.C10H19N.C5H3BrFN/c1-22-6-9-24(10-7-22)38(36,37)34-17-12-25-26(21-32(2)29(35)28(25)34)23-8-11-27(31-20-23)33-18-15-30(16-19-33)13-4-3-5-14-30;1-21-3-6-23(7-4-21)38(36,37)34-16-9-24-25(20-32(2)28(35)27(24)34)22-5-8-26(31-19-22)33-17-12-29(13-18-33)10-14-30-15-11-29;1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22;16-13-4-5-14(17-12-13)18-10-8-15(9-11-18)6-2-1-3-7-15;1-2-4-10(5-3-1)6-8-11-9-7-10;6-4-1-2-5(7)8-3-4/h6-12,17,20-21H,3-5,13-16,18-19H2,1-2H3;3-9,16,19-20,30H,10-15,17-18H2,1-2H3;7-13H,1-6H3;4-5,12H,1-3,6-11H2;11H,1-9H2;1-3H.

What are the key properties of 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one?

3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 2129.20 g/mol, XLogP of 20.30, 12 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-azaspiro[5.5]undecane;4-[6-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;3-(5-bromo-2-pyridinyl)-3-azaspiro[5.5]undecane;4-[6-(3,9-diazaspiro[5.5]undecan-3-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163626688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).