5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine

C18H23ClN4OSi — CID 58540680

IUPAC5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
SMILESC[Si](C)(C)CCOCn1nc(N)c2cc(-c3ncccc3Cl)ccc21
InChIInChI=1S/C18H23ClN4OSi/c1-25(2,3)10-9-24-12-23-16-7-6-13(11-14(16)18(20)22-23)17-15(19)5-4-8-21-17/h4-8,11H,9-10,12H2,1-3H3,(H2,20,22)
InChIKeyJPGBXAPLJIRFOQ-UHFFFAOYSA-N
MW374.95 g/mol
LogP4.65
Rot. Bonds6

About 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine

5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine (PubChem CID 58540680) has the molecular formula C18H23ClN4OSi and a molecular weight of 374.95 g/mol. Its IUPAC name is 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine.

Molecular Properties

Compound Name5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
PubChem CID58540680
Molecular FormulaC18H23ClN4OSi
Molecular Weight374.95 g/mol
Exact Mass374.13
IUPAC Name5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
SMILESC[Si](C)(C)CCOCn1nc(N)c2cc(-c3ncccc3Cl)ccc21
InChIInChI=1S/C18H23ClN4OSi/c1-25(2,3)10-9-24-12-23-16-7-6-13(11-14(16)18(20)22-23)17-15(19)5-4-8-21-17/h4-8,11H,9-10,12H2,1-3H3,(H2,20,22)
InChIKeyJPGBXAPLJIRFOQ-UHFFFAOYSA-N
XLogP4.65
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The IUPAC name of 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine (CID 58540680) is 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine.
What is the SMILES notation for 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The canonical SMILES for 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine is C[Si](C)(C)CCOCn1nc(N)c2cc(-c3ncccc3Cl)ccc21.
What is the InChIKey of 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
The InChIKey is JPGBXAPLJIRFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OSi/c1-25(2,3)10-9-24-12-23-16-7-6-13(11-14(16)18(20)22-23)17-15(19)5-4-8-21-17/h4-8,11H,9-10,12H2,1-3H3,(H2,20,22).
What are the key properties of 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine?
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine has a molecular weight of 374.95 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine is sourced from PubChem (CID 58540680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).