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

C16H9ClF5N5 — CID 122654708

IUPAC3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC(F)(F)c1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H9ClF5N5/c1-15(18,19)14-24-10-2-3-11(16(20,21)22)25-13(10)27(14)8-4-7-6-23-26-12(7)9(17)5-8/h2-6H,1H3,(H,23,26)
InChIKeySAGMGYIKXBMVIW-UHFFFAOYSA-N
MW401.73 g/mol
LogP5.08
Rot. Bonds2

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

3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654708) has the molecular formula C16H9ClF5N5 and a molecular weight of 401.73 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654708
Molecular FormulaC16H9ClF5N5
Molecular Weight401.73 g/mol
Exact Mass401.05
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC(F)(F)c1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C16H9ClF5N5/c1-15(18,19)14-24-10-2-3-11(16(20,21)22)25-13(10)27(14)8-4-7-6-23-26-12(7)9(17)5-8/h2-6H,1H3,(H,23,26)
InChIKeySAGMGYIKXBMVIW-UHFFFAOYSA-N
XLogP5.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.73
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-chloro-2-methyl-N-[5-(6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyrimidin-4-amine
CID 136126928
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 370
CID 122654411
US11312712, Example 202
CID 122654423

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654708) is 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is CC(F)(F)c1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is SAGMGYIKXBMVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF5N5/c1-15(18,19)14-24-10-2-3-11(16(20,21)22)25-13(10)27(14)8-4-7-6-23-26-12(7)9(17)5-8/h2-6H,1H3,(H,23,26).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 401.73 g/mol, XLogP of 5.08, 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)-2-(1,1-difluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).