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

C15H7ClF5N5 — CID 122654438

IUPAC3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)c1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H7ClF5N5/c16-8-4-7(3-6-5-22-25-11(6)8)26-13-9(23-14(26)12(17)18)1-2-10(24-13)15(19,20)21/h1-5,12H,(H,22,25)
InChIKeyDZPACMJYCQLCGO-UHFFFAOYSA-N
MW387.70 g/mol
LogP4.91
Rot. Bonds2

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

3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654438) has the molecular formula C15H7ClF5N5 and a molecular weight of 387.70 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654438
Molecular FormulaC15H7ClF5N5
Molecular Weight387.70 g/mol
Exact Mass387.03
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)c1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C15H7ClF5N5/c16-8-4-7(3-6-5-22-25-11(6)8)26-13-9(23-14(26)12(17)18)1-2-10(24-13)15(19,20)21/h1-5,12H,(H,22,25)
InChIKeyDZPACMJYCQLCGO-UHFFFAOYSA-N
XLogP4.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 54.91
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)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654438) is 3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)c1nc2ccc(C(F)(F)F)nc2n1-c1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is DZPACMJYCQLCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF5N5/c16-8-4-7(3-6-5-22-25-11(6)8)26-13-9(23-14(26)12(17)18)1-2-10(24-13)15(19,20)21/h1-5,12H,(H,22,25).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 387.70 g/mol, XLogP of 4.91, 2 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)-2-(difluoromethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).