4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride

C140H175BBr2ClFN22O18S3 — CID 163818950

About 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride

4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride (PubChem CID 163818950) has the molecular formula C140H175BBr2ClFN22O18S3 and a molecular weight of 2775.35 g/mol. Its IUPAC name is 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride.

Molecular Properties

• Compound Name: 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride
• PubChem CID: 163818950
• Molecular Formula: C140H175BBr2ClFN22O18S3
• Molecular Weight: 2775.35 g/mol
• Exact Mass: 2771.07
• IUPAC Name: 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2.CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(Br)cn3)CC2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCCCC6)C5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCNCC6)C5)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.Cl.Cn1cc(-c2ccc(N3CCC4(CCNCC4)C3)nc2)c2cc[nH]c2c1=O.Fc1ccc(Br)cn1
• InChI: InChI=1S/C29H32N4O3S.C28H31N5O3S.C21H25BN2O5S.C21H25N5O.C18H26BrN3O2.C18H32N2O4.C5H3BrFN.ClH/c1-21-6-9-23(10-7-21)37(35,36)33-16-12-24-25(19-31(2)28(34)27(24)33)22-8-11-26(30-18-22)32-17-15-29(20-32)13-4-3-5-14-29;1-20-3-6-22(7-4-20)37(35,36)33-15-9-23-24(18-31(2)27(34)26(23)33)21-5-8-25(30-17-21)32-16-12-28(19-32)10-13-29-14-11-28;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;1-25-13-17(16-4-8-23-19(16)20(25)27)15-2-3-18(24-12-15)26-11-7-21(14-26)5-9-22-10-6-21;1-17(2,3)24-16(23)22-11-8-18(13-22)6-9-21(10-7-18)15-5-4-14(19)12-20-15;1-16(2,3)23-14(21)19-10-7-18(8-11-19)9-12-20(13-18)15(22)24-17(4,5)6;6-4-1-2-5(7)8-3-4;/h6-12,16,18-19H,3-5,13-15,17,20H2,1-2H3;3-9,15,17-18,29H,10-14,16,19H2,1-2H3;7-13H,1-6H3;2-4,8,12-13,22-23H,5-7,9-11,14H2,1H3;4-5,12H,6-11,13H2,1-3H3;7-13H2,1-6H3;1-3H;1H
• InChIKey: OQCTWAMOEZYUBS-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 429.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 14
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2775.35
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride?

The IUPAC name of 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride (CID 163818950) is 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride.

What is the SMILES notation for 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride?

The canonical SMILES for 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride is CC(C)(C)OC(=O)N1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2.CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(Br)cn3)CC2)C1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCCCC6)C5)nc4)cn(C)c(=O)c32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(-c4ccc(N5CCC6(CCNCC6)C5)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.Cl.Cn1cc(-c2ccc(N3CCC4(CCNCC4)C3)nc2)c2cc[nH]c2c1=O.Fc1ccc(Br)cn1.

What is the InChIKey of 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride?

The InChIKey is OQCTWAMOEZYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3S.C28H31N5O3S.C21H25BN2O5S.C21H25N5O.C18H26BrN3O2.C18H32N2O4.C5H3BrFN.ClH/c1-21-6-9-23(10-7-21)37(35,36)33-16-12-24-25(19-31(2)28(34)27(24)33)22-8-11-26(30-18-22)32-17-15-29(20-32)13-4-3-5-14-29;1-20-3-6-22(7-4-20)37(35,36)33-15-9-23-24(18-31(2)27(34)26(23)33)21-5-8-25(30-17-21)32-16-12-28(19-32)10-13-29-14-11-28;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;1-25-13-17(16-4-8-23-19(16)20(25)27)15-2-3-18(24-12-15)26-11-7-21(14-26)5-9-22-10-6-21;1-17(2,3)24-16(23)22-11-8-18(13-22)6-9-21(10-7-18)15-5-4-14(19)12-20-15;1-16(2,3)23-14(21)19-10-7-18(8-11-19)9-12-20(13-18)15(22)24-17(4,5)6;6-4-1-2-5(7)8-3-4;/h6-12,16,18-19H,3-5,13-15,17,20H2,1-2H3;3-9,15,17-18,29H,10-14,16,19H2,1-2H3;7-13H,1-6H3;2-4,8,12-13,22-23H,5-7,9-11,14H2,1H3;4-5,12H,6-11,13H2,1-3H3;7-13H2,1-6H3;1-3H;1H.

What are the key properties of 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride?

4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride has a molecular weight of 2775.35 g/mol, XLogP of 23.45, 14 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;5-bromo-2-fluoropyridine;tert-butyl 8-(5-bromo-2-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-(2,8-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;ditert-butyl 2,8-diazaspiro[4.5]decane-2,8-dicarboxylate;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;hydrochloride is sourced from PubChem (CID 163818950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).