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

C17H14F3N5 — CID 122654383

IUPAC3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC(C)c1ccc2nc(C(F)(F)F)n(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C17H14F3N5/c1-9(2)12-5-6-14-15(22-12)25(16(23-14)17(18,19)20)11-3-4-13-10(7-11)8-21-24-13/h3-9H,1-2H3,(H,21,24)
InChIKeyMECAWSTVCBZSHD-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.44
Rot. Bonds2

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

3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654383) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654383
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCC(C)c1ccc2nc(C(F)(F)F)n(-c3ccc4[nH]ncc4c3)c2n1
InChIInChI=1S/C17H14F3N5/c1-9(2)12-5-6-14-15(22-12)25(16(23-14)17(18,19)20)11-3-4-13-10(7-11)8-21-24-13/h3-9H,1-2H3,(H,21,24)
InChIKeyMECAWSTVCBZSHD-UHFFFAOYSA-N
XLogP4.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654383) is 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is CC(C)c1ccc2nc(C(F)(F)F)n(-c3ccc4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is MECAWSTVCBZSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c1-9(2)12-5-6-14-15(22-12)25(16(23-14)17(18,19)20)11-3-4-13-10(7-11)8-21-24-13/h3-9H,1-2H3,(H,21,24).
What are the key properties of 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 345.33 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-5-propan-2-yl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).