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

C15H9ClF3N5 — CID 122654423

IUPAC3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(F)(F)F)n2-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H9ClF3N5/c1-7-2-3-20-13-11(7)22-14(15(17,18)19)24(13)9-4-8-6-21-23-12(8)10(16)5-9/h2-6H,1H3,(H,21,23)
InChIKeyXOHVMMJCFZVWQA-UHFFFAOYSA-N
MW351.72 g/mol
LogP4.28
Rot. Bonds1

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

3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654423) has the molecular formula C15H9ClF3N5 and a molecular weight of 351.72 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654423
Molecular FormulaC15H9ClF3N5
Molecular Weight351.72 g/mol
Exact Mass351.05
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCc1ccnc2c1nc(C(F)(F)F)n2-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H9ClF3N5/c1-7-2-3-20-13-11(7)22-14(15(17,18)19)24(13)9-4-8-6-21-23-12(8)10(16)5-9/h2-6H,1H3,(H,21,23)
InChIKeyXOHVMMJCFZVWQA-UHFFFAOYSA-N
XLogP4.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654423) is 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is Cc1ccnc2c1nc(C(F)(F)F)n2-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is XOHVMMJCFZVWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N5/c1-7-2-3-20-13-11(7)22-14(15(17,18)19)24(13)9-4-8-6-21-23-12(8)10(16)5-9/h2-6H,1H3,(H,21,23).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 351.72 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1H-indazol-5-yl)-7-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).