1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one

C44H46N8O3Si — CID 161263640

IUPAC1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1ncc2ccc(-c3ccc(=O)n(Cc4cccc(N)c4)c3)cc21.Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C25H30N4O2Si.C19H16N4O/c1-32(2,3)12-11-31-18-29-24-14-20(7-8-21(24)15-27-29)22-9-10-25(30)28(17-22)16-19-5-4-6-23(26)13-19;20-17-3-1-2-13(8-17)11-23-12-16(6-7-19(23)24)14-4-5-15-10-21-22-18(15)9-14/h4-10,13-15,17H,11-12,16,18,26H2,1-3H3;1-10,12H,11,20H2,(H,21,22)
InChIKeyVCWSPGGQQZVEBM-UHFFFAOYSA-N
MW762.99 g/mol
LogP7.83
Rot. Bonds11

About 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one

1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one (PubChem CID 161263640) has the molecular formula C44H46N8O3Si and a molecular weight of 762.99 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one
PubChem CID161263640
Molecular FormulaC44H46N8O3Si
Molecular Weight762.99 g/mol
Exact Mass762.35
IUPAC Name1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1ncc2ccc(-c3ccc(=O)n(Cc4cccc(N)c4)c3)cc21.Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C25H30N4O2Si.C19H16N4O/c1-32(2,3)12-11-31-18-29-24-14-20(7-8-21(24)15-27-29)22-9-10-25(30)28(17-22)16-19-5-4-6-23(26)13-19;20-17-3-1-2-13(8-17)11-23-12-16(6-7-19(23)24)14-4-5-15-10-21-22-18(15)9-14/h4-10,13-15,17H,11-12,16,18,26H2,1-3H3;1-10,12H,11,20H2,(H,21,22)
InChIKeyVCWSPGGQQZVEBM-UHFFFAOYSA-N
XLogP7.83
TPSA151.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.99
LogP ≤ 57.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]acetamide
CID 129052064
6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1,1,1-trifluoro-3-hydroxypropan-2-one;trimethyl-[2-[[6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
CID 158357251
N-[3-[4-anilino-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide
CID 54675540
1-[4-[5-(1-cyclopentyl-3-ethyl-2H-indazol-1-ium-6-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 58670158
(3E)-3-[[3-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68757758
3-[[3-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68757759
(3Z)-3-[[3-(2-pyridin-4-ylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68758105
3-((3-(2-(pyridin-4-yl)ethyl)-1-((2-(trimethylsilyl)ethoxy)-methyl)-1H-indazol-6-yl)methylene)indolin-2-one
CID 68758106
(E)-3-((3-(4-((dimethylamino)methyl)styryl)-1-((2-(trimethylsilyl)ethoxy)-methyl)-1H-indazol-6-yl)methylene)indolin-2-one
CID 69812424
1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one
CID 123521321
(Z)-4-(dimethylamino)-N-[2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]phenyl]but-2-enamide
CID 129052044
5-(1H-indazol-6-yl)-1-[[2-(1H-pyrazol-5-yl)phenyl]methyl]pyridin-2-one
CID 129052079

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one?
The IUPAC name of 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one (CID 161263640) is 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one.
What is the SMILES notation for 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one?
The canonical SMILES for 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one is C[Si](C)(C)CCOCn1ncc2ccc(-c3ccc(=O)n(Cc4cccc(N)c4)c3)cc21.Nc1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one?
The InChIKey is VCWSPGGQQZVEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2Si.C19H16N4O/c1-32(2,3)12-11-31-18-29-24-14-20(7-8-21(24)15-27-29)22-9-10-25(30)28(17-22)16-19-5-4-6-23(26)13-19;20-17-3-1-2-13(8-17)11-23-12-16(6-7-19(23)24)14-4-5-15-10-21-22-18(15)9-14/h4-10,13-15,17H,11-12,16,18,26H2,1-3H3;1-10,12H,11,20H2,(H,21,22).
What are the key properties of 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one?
1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one has a molecular weight of 762.99 g/mol, XLogP of 7.83, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-5-(1H-indazol-6-yl)pyridin-2-one;1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one is sourced from PubChem (CID 161263640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).