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

C17H14F3N5 — CID 122654403

IUPAC2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2ccc(C(F)(F)F)nc2n1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C17H14F3N5/c1-3-14-22-12-4-5-13(17(18,19)20)23-16(12)25(14)11-6-9(2)15-10(7-11)8-21-24-15/h4-8H,3H2,1-2H3,(H,21,24)
InChIKeyNFPPRJXISDEYIV-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.19
Rot. Bonds2

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

2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654403) has the molecular formula C17H14F3N5 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654403
Molecular FormulaC17H14F3N5
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCc1nc2ccc(C(F)(F)F)nc2n1-c1cc(C)c2[nH]ncc2c1
InChIInChI=1S/C17H14F3N5/c1-3-14-22-12-4-5-13(17(18,19)20)23-16(12)25(14)11-6-9(2)15-10(7-11)8-21-24-15/h4-8H,3H2,1-2H3,(H,21,24)
InChIKeyNFPPRJXISDEYIV-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Vlx-600
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Pyrazole 79
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9-(2-(1H-indazol-4-yl)vinyl)-N-(4-(dimethylphosphoryl)phenyl)-9H-purin-6-amine
CID 44561737
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7-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126649391
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654403) is 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is CCc1nc2ccc(C(F)(F)F)nc2n1-c1cc(C)c2[nH]ncc2c1.
What is the InChIKey of 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is NFPPRJXISDEYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5/c1-3-14-22-12-4-5-13(17(18,19)20)23-16(12)25(14)11-6-9(2)15-10(7-11)8-21-24-15/h4-8H,3H2,1-2H3,(H,21,24).
What are the key properties of 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 345.33 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).