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

C17H12F3N5 — CID 122654374

IUPAC5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2ccc(C3CC3)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)16-23-14-6-5-12(9-1-2-9)22-15(14)25(16)11-3-4-13-10(7-11)8-21-24-13/h3-9H,1-2H2,(H,21,24)
InChIKeyGGLPMVVLIMBRQN-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.19
Rot. Bonds2

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

5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654374) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654374
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1nc2ccc(C3CC3)nc2n1-c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H12F3N5/c18-17(19,20)16-23-14-6-5-12(9-1-2-9)22-15(14)25(16)11-3-4-13-10(7-11)8-21-24-13/h3-9H,1-2H2,(H,21,24)
InChIKeyGGLPMVVLIMBRQN-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 ≤ 500343.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654374) is 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1nc2ccc(C3CC3)nc2n1-c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is GGLPMVVLIMBRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c18-17(19,20)16-23-14-6-5-12(9-1-2-9)22-15(14)25(16)11-3-4-13-10(7-11)8-21-24-13/h3-9H,1-2H2,(H,21,24).
What are the key properties of 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 343.31 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 5-cyclopropyl-3-(1H-indazol-5-yl)-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).