5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine

C15H9BrF3N5 — CID 122654355

IUPAC5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(C(F)(F)F)nc3ccc(Br)nc32)cc2cn[nH]c12
InChIInChI=1S/C15H9BrF3N5/c1-7-4-9(5-8-6-20-23-12(7)8)24-13-10(2-3-11(16)22-13)21-14(24)15(17,18)19/h2-6H,1H3,(H,20,23)
InChIKeyUBIBICUIFYOAET-UHFFFAOYSA-N
MW396.17 g/mol
LogP4.39
Rot. Bonds1

About 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine

5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654355) has the molecular formula C15H9BrF3N5 and a molecular weight of 396.17 g/mol. Its IUPAC name is 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654355
Molecular FormulaC15H9BrF3N5
Molecular Weight396.17 g/mol
Exact Mass395.00
IUPAC Name5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1cc(-n2c(C(F)(F)F)nc3ccc(Br)nc32)cc2cn[nH]c12
InChIInChI=1S/C15H9BrF3N5/c1-7-4-9(5-8-6-20-23-12(7)8)24-13-10(2-3-11(16)22-13)21-14(24)15(17,18)19/h2-6H,1H3,(H,20,23)
InChIKeyUBIBICUIFYOAET-UHFFFAOYSA-N
XLogP4.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654355) is 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is Cc1cc(-n2c(C(F)(F)F)nc3ccc(Br)nc32)cc2cn[nH]c12.
What is the InChIKey of 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is UBIBICUIFYOAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3N5/c1-7-4-9(5-8-6-20-23-12(7)8)24-13-10(2-3-11(16)22-13)21-14(24)15(17,18)19/h2-6H,1H3,(H,20,23).
What are the key properties of 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 396.17 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(7-methyl-1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).