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

C16H9F6N5 — CID 122654554

IUPAC3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)Cc1nc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H9F6N5/c17-15(18,19)6-13-24-11-3-4-12(16(20,21)22)25-14(11)27(13)9-1-2-10-8(5-9)7-23-26-10/h1-5,7H,6H2,(H,23,26)
InChIKeyYIPSMNKOZJONCM-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.42
Rot. Bonds2

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

3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654554) has the molecular formula C16H9F6N5 and a molecular weight of 385.27 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654554
Molecular FormulaC16H9F6N5
Molecular Weight385.27 g/mol
Exact Mass385.08
IUPAC Name3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)Cc1nc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C16H9F6N5/c17-15(18,19)6-13-24-11-3-4-12(16(20,21)22)25-14(11)27(13)9-1-2-10-8(5-9)7-23-26-10/h1-5,7H,6H2,(H,23,26)
InChIKeyYIPSMNKOZJONCM-UHFFFAOYSA-N
XLogP4.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.42
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)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654554) is 3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)Cc1nc2ccc(C(F)(F)F)nc2n1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is YIPSMNKOZJONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N5/c17-15(18,19)6-13-24-11-3-4-12(16(20,21)22)25-14(11)27(13)9-1-2-10-8(5-9)7-23-26-10/h1-5,7H,6H2,(H,23,26).
What are the key properties of 3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 385.27 g/mol, XLogP of 4.42, 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)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).