5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine

C23H27ClN6OSi — CID 58540832

IUPAC5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
SMILESCc1ccc(Nc2nn(COCC[Si](C)(C)C)c3ccc(-c4ncccc4Cl)cc23)nn1
InChIInChI=1S/C23H27ClN6OSi/c1-16-7-10-21(28-27-16)26-23-18-14-17(22-19(24)6-5-11-25-22)8-9-20(18)30(29-23)15-31-12-13-32(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,26,28,29)
InChIKeyWDGFCIXVZDSOMB-UHFFFAOYSA-N
MW467.05 g/mol
LogP5.91
Rot. Bonds8

About 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine

5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine (PubChem CID 58540832) has the molecular formula C23H27ClN6OSi and a molecular weight of 467.05 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
PubChem CID58540832
Molecular FormulaC23H27ClN6OSi
Molecular Weight467.05 g/mol
Exact Mass466.17
IUPAC Name5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
SMILESCc1ccc(Nc2nn(COCC[Si](C)(C)C)c3ccc(-c4ncccc4Cl)cc23)nn1
InChIInChI=1S/C23H27ClN6OSi/c1-16-7-10-21(28-27-16)26-23-18-14-17(22-19(24)6-5-11-25-22)8-9-20(18)30(29-23)15-31-12-13-32(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,26,28,29)
InChIKeyWDGFCIXVZDSOMB-UHFFFAOYSA-N
XLogP5.91
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.05
LogP ≤ 55.91
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

1-(2,6-Dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea
CID 164626056
4-(5-chloro-2-pyridinyl)-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
CID 168289798
1-(2-chloro-3-pyridinyl)-2-methyl-N-pyridazin-3-ylindol-6-amine
CID 155554452
5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 86686735
5-chloro-3-(6-fluoroquinolin-3-yl)-N-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 87277336
5-(5-chloro-3-pyridinyl)-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]indazole-1-carboxamide
CID 118383884
2-[[5-[7-Chloro-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-7-methylindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140866018
1-(2-Chloropyridin-4-yl)-3-[1-methyl-5-(trifluoromethyl)indazol-3-yl]urea
CID 150225133
2-[3-(6-Chloropyrimidin-4-yl)-6-fluoro-2-(2-trimethylsilylethoxymethyl)indazol-5-yl]-3-methyliminoprop-1-en-1-amine
CID 159770814
N-(2,6-dichloro-4-fluorophenyl)-1-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
CID 160866514
N-(2,6-dichloro-4-fluorophenyl)-1-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridin-4-amine
CID 160866515
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-2-yl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 169097916

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine (CID 58540832) is 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine is Cc1ccc(Nc2nn(COCC[Si](C)(C)C)c3ccc(-c4ncccc4Cl)cc23)nn1.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The InChIKey is WDGFCIXVZDSOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6OSi/c1-16-7-10-21(28-27-16)26-23-18-14-17(22-19(24)6-5-11-25-22)8-9-20(18)30(29-23)15-31-12-13-32(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,26,28,29).
What are the key properties of 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine has a molecular weight of 467.05 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-N-(6-methylpyridazin-3-yl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine is sourced from PubChem (CID 58540832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).