3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane

C30H32Cl2N8OSi — CID 159426350

IUPAC3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccc2[nH]nc(-c3cc(Cl)ncn3)c2c1.Cc1ccc2c(c1)c(-c1cc(Cl)ncn1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C18H23ClN4OSi.C12H9ClN4/c1-13-5-6-16-14(9-13)18(15-10-17(19)21-11-20-15)22-23(16)12-24-7-8-25(2,3)4;1-7-2-3-9-8(4-7)12(17-16-9)10-5-11(13)15-6-14-10/h5-6,9-11H,7-8,12H2,1-4H3;2-6H,1H3,(H,16,17)
InChIKeyLQKDFCBUSHRFBU-UHFFFAOYSA-N
MW619.63 g/mol
LogP7.75
Rot. Bonds7

About 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane

3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159426350) has the molecular formula C30H32Cl2N8OSi and a molecular weight of 619.63 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID159426350
Molecular FormulaC30H32Cl2N8OSi
Molecular Weight619.63 g/mol
Exact Mass618.18
IUPAC Name3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1ccc2[nH]nc(-c3cc(Cl)ncn3)c2c1.Cc1ccc2c(c1)c(-c1cc(Cl)ncn1)nn2COCC[Si](C)(C)C
InChIInChI=1S/C18H23ClN4OSi.C12H9ClN4/c1-13-5-6-16-14(9-13)18(15-10-17(19)21-11-20-15)22-23(16)12-24-7-8-25(2,3)4;1-7-2-3-9-8(4-7)12(17-16-9)10-5-11(13)15-6-14-10/h5-6,9-11H,7-8,12H2,1-4H3;2-6H,1H3,(H,16,17)
InChIKeyLQKDFCBUSHRFBU-UHFFFAOYSA-N
XLogP7.75
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.63
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-chloropyrimidin-4-yl)-2-(2-trimethylsilylethoxymethyl)indazol-5-ol
CID 136640945
3-(2-fluoro-4-pyridinyl)-N-(3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 90391052
2-[[3-(6-chloropyrimidin-4-yl)-5-(1-methylcyclopropyl)oxyindazol-2-yl]methoxy]ethyl-trimethylsilane
CID 90398023
2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 86676701
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
2-[[5-bromo-3-(2-methyl-1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 168727886
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
tert-butyl 4-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2S)-2-methyl-4-[6-[5-propan-2-yloxy-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethyl]piperazine-1-carboxylate;2-[[3-(6-chloropyrimidin-4-yl)-5-propan-2-yloxyindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 159134691
2-[[5-chloro-3-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 171933248
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
CID 90709871
2-[[3-(1H-benzimidazol-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 141075677

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane (CID 159426350) is 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1ccc2[nH]nc(-c3cc(Cl)ncn3)c2c1.Cc1ccc2c(c1)c(-c1cc(Cl)ncn1)nn2COCC[Si](C)(C)C.
What is the InChIKey of 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LQKDFCBUSHRFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OSi.C12H9ClN4/c1-13-5-6-16-14(9-13)18(15-10-17(19)21-11-20-15)22-23(16)12-24-7-8-25(2,3)4;1-7-2-3-9-8(4-7)12(17-16-9)10-5-11(13)15-6-14-10/h5-6,9-11H,7-8,12H2,1-4H3;2-6H,1H3,(H,16,17).
What are the key properties of 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane?
3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 619.63 g/mol, XLogP of 7.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrimidin-4-yl)-5-methyl-1H-indazole;2-[[3-(6-chloropyrimidin-4-yl)-5-methylindazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159426350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).