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

C25H30N4O2Si — CID 140931469

IUPAC1-[(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
InChIInChI=1S/C25H30N4O2Si/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/h4-10,13-15,17H,11-12,16,18,26H2,1-3H3
InChIKeyQPLFLEVWDWMZEB-UHFFFAOYSA-N
MW446.63 g/mol
LogP4.81
Rot. Bonds8

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

1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one (PubChem CID 140931469) has the molecular formula C25H30N4O2Si and a molecular weight of 446.63 g/mol. Its IUPAC name is 1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one
PubChem CID140931469
Molecular FormulaC25H30N4O2Si
Molecular Weight446.63 g/mol
Exact Mass446.21
IUPAC Name1-[(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
InChIInChI=1S/C25H30N4O2Si/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/h4-10,13-15,17H,11-12,16,18,26H2,1-3H3
InChIKeyQPLFLEVWDWMZEB-UHFFFAOYSA-N
XLogP4.81
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

trimethyl-[2-[(6-phenylindazol-1-yl)methoxy]ethyl]silane
CID 141183525
5-(1-benzylindazol-6-yl)-1-methylpyridin-2-one
CID 175983877
2-[(5,6-dimethoxyindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 71009206
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
methyl 5-(3-cyclopropyloxyphenyl)-1-[[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methyl]pyrazole-3-carboxylate
CID 140877303
2-[(6-chloro-5-methylindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 176896044
1-(ethoxymethyl)indazol-6-amine
CID 65369977
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889
[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
CID 171465915
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
CID 171502060
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
5-bromo-1-(2-trimethylsilylethoxymethyl)indazole-6-carboxylic acid
CID 153498713

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one?
The IUPAC name of 1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one (CID 140931469) is 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-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one?
The canonical SMILES for 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.
What is the InChIKey of 1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one?
The InChIKey is QPLFLEVWDWMZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2Si/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/h4-10,13-15,17H,11-12,16,18,26H2,1-3H3.
What are the key properties of 1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)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 446.63 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminophenyl)methyl]-5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyridin-2-one is sourced from PubChem (CID 140931469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).