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

C15H6ClF6N5 — CID 122654449

IUPAC3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C15H6ClF6N5/c16-8-4-7(3-6-5-23-26-11(6)8)27-12-9(24-13(27)15(20,21)22)1-2-10(25-12)14(17,18)19/h1-5H,(H,23,26)
InChIKeyVJCLYNBRTPCXJE-UHFFFAOYSA-N
MW405.69 g/mol
LogP4.99
Rot. Bonds1

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

3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 122654449) has the molecular formula C15H6ClF6N5 and a molecular weight of 405.69 g/mol. Its IUPAC name is 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID122654449
Molecular FormulaC15H6ClF6N5
Molecular Weight405.69 g/mol
Exact Mass405.02
IUPAC Name3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C15H6ClF6N5/c16-8-4-7(3-6-5-23-26-11(6)8)27-12-9(24-13(27)15(20,21)22)1-2-10(25-12)14(17,18)19/h1-5H,(H,23,26)
InChIKeyVJCLYNBRTPCXJE-UHFFFAOYSA-N
XLogP4.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.69
LogP ≤ 54.99
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)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine (CID 122654449) is 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is FC(F)(F)c1ccc2nc(C(F)(F)F)n(-c3cc(Cl)c4[nH]ncc4c3)c2n1.
What is the InChIKey of 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is VJCLYNBRTPCXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClF6N5/c16-8-4-7(3-6-5-23-26-11(6)8)27-12-9(24-13(27)15(20,21)22)1-2-10(25-12)14(17,18)19/h1-5H,(H,23,26).
What are the key properties of 3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine?
3-(7-chloro-1H-indazol-5-yl)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 405.69 g/mol, XLogP of 4.99, 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)-2,5-bis(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 122654449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).