8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid

C104H117BBr3Cl7N24O8 — CID 159628258

IUPAC8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCNC2=O)CC1.Cc1ccc(C)n1-c1ncc(-c2ccc3c(cnn3C)c2)c(N2CCC3(CCNC3=O)CC2)c1Cl.Cc1ccc(C)n1-c1ncc(Br)c(Cl)c1Cl.Cc1ccc(C)n1-c1ncc(Br)c(N2CCC3(CCNC3=O)CC2)c1Cl.Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21.Cn1ncc2cc(B(O)O)ccc21.Nc1ncc(Br)c(Cl)c1Cl
InChIInChI=1S/C27H29ClN6O.C21H23ClN6O.C19H22BrClN4O.C13H22N2O3.C11H9BrCl2N2.C8H9BN2O2.C5H3BrCl2N2/c1-17-4-5-18(2)34(17)25-23(28)24(33-12-9-27(10-13-33)8-11-29-26(27)35)21(16-30-25)19-6-7-22-20(14-19)15-31-32(22)3;1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29;1-12-3-4-13(2)25(12)17-15(21)16(14(20)11-23-17)24-9-6-19(7-10-24)5-8-22-18(19)26;1-12(2,3)18-11(17)15-8-5-13(6-9-15)4-7-14-10(13)16;1-6-3-4-7(2)16(6)11-10(14)9(13)8(12)5-15-11;1-11-8-3-2-7(9(12)13)4-6(8)5-10-11;6-2-1-10-5(9)4(8)3(2)7/h4-7,14-16H,8-13H2,1-3H3,(H,29,35);2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29);3-4,11H,5-10H2,1-2H3,(H,22,26);4-9H2,1-3H3,(H,14,16);3-5H,1-2H3;2-5,12-13H,1H3;1H,(H2,9,10)
InChIKeyMOTYIEYRVGHTQZ-UHFFFAOYSA-N
MW2329.93 g/mol
LogP19.86
Rot. Bonds9

About 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid

8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid (PubChem CID 159628258) has the molecular formula C104H117BBr3Cl7N24O8 and a molecular weight of 2329.93 g/mol. Its IUPAC name is 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid.

Molecular Properties

Compound Name8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid
PubChem CID159628258
Molecular FormulaC104H117BBr3Cl7N24O8
Molecular Weight2329.93 g/mol
Exact Mass2322.49
IUPAC Name8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCNC2=O)CC1.Cc1ccc(C)n1-c1ncc(-c2ccc3c(cnn3C)c2)c(N2CCC3(CCNC3=O)CC2)c1Cl.Cc1ccc(C)n1-c1ncc(Br)c(Cl)c1Cl.Cc1ccc(C)n1-c1ncc(Br)c(N2CCC3(CCNC3=O)CC2)c1Cl.Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21.Cn1ncc2cc(B(O)O)ccc21.Nc1ncc(Br)c(Cl)c1Cl
InChIInChI=1S/C27H29ClN6O.C21H23ClN6O.C19H22BrClN4O.C13H22N2O3.C11H9BrCl2N2.C8H9BN2O2.C5H3BrCl2N2/c1-17-4-5-18(2)34(17)25-23(28)24(33-12-9-27(10-13-33)8-11-29-26(27)35)21(16-30-25)19-6-7-22-20(14-19)15-31-32(22)3;1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29;1-12-3-4-13(2)25(12)17-15(21)16(14(20)11-23-17)24-9-6-19(7-10-24)5-8-22-18(19)26;1-12(2,3)18-11(17)15-8-5-13(6-9-15)4-7-14-10(13)16;1-6-3-4-7(2)16(6)11-10(14)9(13)8(12)5-15-11;1-11-8-3-2-7(9(12)13)4-6(8)5-10-11;6-2-1-10-5(9)4(8)3(2)7/h4-7,14-16H,8-13H2,1-3H3,(H,29,35);2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29);3-4,11H,5-10H2,1-2H3,(H,22,26);4-9H2,1-3H3,(H,14,16);3-5H,1-2H3;2-5,12-13H,1H3;1H,(H2,9,10)
InChIKeyMOTYIEYRVGHTQZ-UHFFFAOYSA-N
XLogP19.86
TPSA380.86 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds9
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002329.93
LogP ≤ 519.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid?
The IUPAC name of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid (CID 159628258) is 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid.
What is the SMILES notation for 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid?
The canonical SMILES for 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid is CC(C)(C)OC(=O)N1CCC2(CCNC2=O)CC1.Cc1ccc(C)n1-c1ncc(-c2ccc3c(cnn3C)c2)c(N2CCC3(CCNC3=O)CC2)c1Cl.Cc1ccc(C)n1-c1ncc(Br)c(Cl)c1Cl.Cc1ccc(C)n1-c1ncc(Br)c(N2CCC3(CCNC3=O)CC2)c1Cl.Cn1ncc2cc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)ccc21.Cn1ncc2cc(B(O)O)ccc21.Nc1ncc(Br)c(Cl)c1Cl.
What is the InChIKey of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid?
The InChIKey is MOTYIEYRVGHTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN6O.C21H23ClN6O.C19H22BrClN4O.C13H22N2O3.C11H9BrCl2N2.C8H9BN2O2.C5H3BrCl2N2/c1-17-4-5-18(2)34(17)25-23(28)24(33-12-9-27(10-13-33)8-11-29-26(27)35)21(16-30-25)19-6-7-22-20(14-19)15-31-32(22)3;1-27-16-3-2-13(10-14(16)11-26-27)15-12-25-19(23)17(22)18(15)28-8-5-21(6-9-28)4-7-24-20(21)29;1-12-3-4-13(2)25(12)17-15(21)16(14(20)11-23-17)24-9-6-19(7-10-24)5-8-22-18(19)26;1-12(2,3)18-11(17)15-8-5-13(6-9-15)4-7-14-10(13)16;1-6-3-4-7(2)16(6)11-10(14)9(13)8(12)5-15-11;1-11-8-3-2-7(9(12)13)4-6(8)5-10-11;6-2-1-10-5(9)4(8)3(2)7/h4-7,14-16H,8-13H2,1-3H3,(H,29,35);2-3,10-12H,4-9H2,1H3,(H2,23,25)(H,24,29);3-4,11H,5-10H2,1-2H3,(H,22,26);4-9H2,1-3H3,(H,14,16);3-5H,1-2H3;2-5,12-13H,1H3;1H,(H2,9,10).
What are the key properties of 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid?
8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid has a molecular weight of 2329.93 g/mol, XLogP of 19.86, 9 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[5-bromo-3-chloro-2-(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;5-bromo-3,4-dichloro-2-(2,5-dimethylpyrrol-1-yl)pyridine;5-bromo-3,4-dichloropyridin-2-amine;tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate;8-[3-chloro-2-(2,5-dimethylpyrrol-1-yl)-5-(1-methylindazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;(1-methylindazol-5-yl)boronic acid is sourced from PubChem (CID 159628258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).