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

C15H7ClF5N5 — CID 122654405

IUPAC3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C15H7ClF5N5/c16-8-4-7(3-6-5-22-25-11(6)8)26-13-10(24-14(26)15(19,20)21)2-1-9(23-13)12(17)18/h1-5,12H,(H,22,25)
InChIKeyGKCXHWYZZIJQRE-UHFFFAOYSA-N
MW387.70 g/mol
LogP4.91
Rot. Bonds2

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

3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654405) has the molecular formula C15H7ClF5N5 and a molecular weight of 387.70 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654405
Molecular FormulaC15H7ClF5N5
Molecular Weight387.70 g/mol
Exact Mass387.03
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C15H7ClF5N5/c16-8-4-7(3-6-5-22-25-11(6)8)26-13-10(24-14(26)15(19,20)21)2-1-9(23-13)12(17)18/h1-5,12H,(H,22,25)
InChIKeyGKCXHWYZZIJQRE-UHFFFAOYSA-N
XLogP4.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine with MolForge

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Related Compounds

US11312712, Example 374
CID 122654337
US11312712, Example 221
CID 122654365
US11312712, Example 125
CID 122654374
US11312712, Example 314
CID 122654382
US11312712, Example 170
CID 122654383
US11312712, Example 315
CID 122654403
US11312712, Example 241
CID 122654404
US11312712, Example 208
CID 122654408
US11312712, Example 370
CID 122654411
US11312712, Example 202
CID 122654423
US11312712, Example 214
CID 122654433
2-(3-fluorocyclobutyl)-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654434

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654405) is 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is GKCXHWYZZIJQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF5N5/c16-8-4-7(3-6-5-22-25-11(6)8)26-13-10(24-14(26)15(19,20)21)2-1-9(23-13)12(17)18/h1-5,12H,(H,22,25).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 387.70 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1H-indazol-5-yl)-5-(difluoromethyl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).