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

C18H14F3N5 — CID 122654408

IUPAC5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2ccc(C3CCC3)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H14F3N5/c19-18(20,21)17-24-15-7-6-13(10-2-1-3-10)23-16(15)26(17)12-4-5-14-11(8-12)9-22-25-14/h4-10H,1-3H2,(H,22,25)
InChIKeyJBXCPVGSNCSVII-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.58
Rot. Bonds2

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

5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654408) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654408
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2ccc(C3CCC3)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H14F3N5/c19-18(20,21)17-24-15-7-6-13(10-2-1-3-10)23-16(15)26(17)12-4-5-14-11(8-12)9-22-25-14/h4-10H,1-3H2,(H,22,25)
InChIKeyJBXCPVGSNCSVII-UHFFFAOYSA-N
XLogP4.58
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654408) is 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1nc2ccc(C3CCC3)nc2n1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is JBXCPVGSNCSVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c19-18(20,21)17-24-15-7-6-13(10-2-1-3-10)23-16(15)26(17)12-4-5-14-11(8-12)9-22-25-14/h4-10H,1-3H2,(H,22,25).
What are the key properties of 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 357.34 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).