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

C15H8ClF4N5 — CID 122654593

IUPAC3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)c1ccc2nc(C(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C15H8ClF4N5/c16-8-4-7(3-6-5-21-24-11(6)8)25-14-10(23-15(25)13(19)20)2-1-9(22-14)12(17)18/h1-5,12-13H,(H,21,24)
InChIKeyJEJXNLJMWCQGHB-UHFFFAOYSA-N
MW369.71 g/mol
LogP4.83
Rot. Bonds3

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

3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654593) has the molecular formula C15H8ClF4N5 and a molecular weight of 369.71 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654593
Molecular FormulaC15H8ClF4N5
Molecular Weight369.71 g/mol
Exact Mass369.04
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)c1ccc2nc(C(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C15H8ClF4N5/c16-8-4-7(3-6-5-21-24-11(6)8)25-14-10(23-15(25)13(19)20)2-1-9(22-14)12(17)18/h1-5,12-13H,(H,21,24)
InChIKeyJEJXNLJMWCQGHB-UHFFFAOYSA-N
XLogP4.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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 324
CID 122654405
US11312712, Example 208
CID 122654408
US11312712, Example 370
CID 122654411
US11312712, Example 202
CID 122654423
US11312712, Example 214
CID 122654433

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine (CID 122654593) is 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine is FC(F)c1ccc2nc(C(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is JEJXNLJMWCQGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF4N5/c16-8-4-7(3-6-5-21-24-11(6)8)25-14-10(23-15(25)13(19)20)2-1-9(22-14)12(17)18/h1-5,12-13H,(H,21,24).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 369.71 g/mol, XLogP of 4.83, 3 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)-2,5-bis(difluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).