N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

C22H25N5O2SSi — CID 66854578

IUPACN-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(C(=O)Nc2ccncc2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C22H25N5O2SSi/c1-31(2,3)11-10-29-15-27-19-5-4-16(20-13-24-14-30-20)12-18(19)21(26-27)22(28)25-17-6-8-23-9-7-17/h4-9,12-14H,10-11,15H2,1-3H3,(H,23,25,28)
InChIKeyXRFDPKCVECFWQL-UHFFFAOYSA-N
MW451.63 g/mol
LogP5.12
Rot. Bonds8

About N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (PubChem CID 66854578) has the molecular formula C22H25N5O2SSi and a molecular weight of 451.63 g/mol. Its IUPAC name is N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
PubChem CID66854578
Molecular FormulaC22H25N5O2SSi
Molecular Weight451.63 g/mol
Exact Mass451.15
IUPAC NameN-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESC[Si](C)(C)CCOCn1nc(C(=O)Nc2ccncc2)c2cc(-c3cncs3)ccc21
InChIInChI=1S/C22H25N5O2SSi/c1-31(2,3)11-10-29-15-27-19-5-4-16(20-13-24-14-30-20)12-18(19)21(26-27)22(28)25-17-6-8-23-9-7-17/h4-9,12-14H,10-11,15H2,1-3H3,(H,23,25,28)
InChIKeyXRFDPKCVECFWQL-UHFFFAOYSA-N
XLogP5.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.63
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 57495793
N-methyl-5-[3-(prop-2-enoylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 175886392
methyl 5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carboxylate
CID 170590267
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
6-bromo-N-[1-[(1S)-1-phenylpropyl]pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 71259799
N-[4-[5-bromo-2-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 90149320
methyl 5-[1-(2-hydroxyethyl)pyrazol-4-yl]-1H-indazole-3-carboxylate;methyl 5-(1-propylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylate
CID 159062538
5-[3-(2,2,2-trifluoroethyl)pyrrolidin-1-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxylic acid
CID 67230247
methyl 5-(3-aminophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridine-3-carboxylate
CID 162527237
1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 169159905
4-cyano-N-[3-(3-nitrophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzamide
CID 170562660
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The IUPAC name of N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (CID 66854578) is N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The canonical SMILES for N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is C[Si](C)(C)CCOCn1nc(C(=O)Nc2ccncc2)c2cc(-c3cncs3)ccc21.
What is the InChIKey of N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The InChIKey is XRFDPKCVECFWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2SSi/c1-31(2,3)11-10-29-15-27-19-5-4-16(20-13-24-14-30-20)12-18(19)21(26-27)22(28)25-17-6-8-23-9-7-17/h4-9,12-14H,10-11,15H2,1-3H3,(H,23,25,28).
What are the key properties of N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide has a molecular weight of 451.63 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-5-(1,3-thiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is sourced from PubChem (CID 66854578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).