3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine

C15H6ClF6N5 — CID 122654919

IUPAC3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(c1)nc(C(F)(F)F)n2-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H6ClF6N5/c16-9-3-8(1-6-4-24-26-11(6)9)27-12-10(25-13(27)15(20,21)22)2-7(5-23-12)14(17,18)19/h1-5H,(H,24,26)
InChIKeyZKEYKIQPUPDBFE-UHFFFAOYSA-N
MW405.69 g/mol
LogP4.99
Rot. Bonds1

About 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine

3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654919) has the molecular formula C15H6ClF6N5 and a molecular weight of 405.69 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654919
Molecular FormulaC15H6ClF6N5
Molecular Weight405.69 g/mol
Exact Mass405.02
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2c(c1)nc(C(F)(F)F)n2-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H6ClF6N5/c16-9-3-8(1-6-4-24-26-11(6)9)27-12-10(25-13(27)15(20,21)22)2-7(5-23-12)14(17,18)19/h1-5H,(H,24,26)
InChIKeyZKEYKIQPUPDBFE-UHFFFAOYSA-N
XLogP4.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.69
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazo[1,2-a]pyridin-6-yl-6-(trifluoromethyl)-1H-indazole
CID 71735207
N-(3-chloro-1-ethylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
CID 134198103
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 324
CID 122654405
US11312712, Example 208
CID 122654408
US11312712, Example 202
CID 122654423

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654919) is 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1cnc2c(c1)nc(C(F)(F)F)n2-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZKEYKIQPUPDBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6N5/c16-9-3-8(1-6-4-24-26-11(6)9)27-12-10(25-13(27)15(20,21)22)2-7(5-23-12)14(17,18)19/h1-5H,(H,24,26).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 405.69 g/mol, XLogP of 4.99, 1 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)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).