8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine

C16H7ClF6N4 — CID 134452865

IUPAC8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cn2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C16H7ClF6N4/c17-10-4-7(3-8-5-24-26-13(8)10)12-9(15(18,19)20)1-2-27-6-11(16(21,22)23)25-14(12)27/h1-6H,(H,24,26)
InChIKeySSJJQPAUORKMHJ-UHFFFAOYSA-N
MW404.70 g/mol
LogP5.57
Rot. Bonds1

About 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine

8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 134452865) has the molecular formula C16H7ClF6N4 and a molecular weight of 404.70 g/mol. Its IUPAC name is 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID134452865
Molecular FormulaC16H7ClF6N4
Molecular Weight404.70 g/mol
Exact Mass404.03
IUPAC Name8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESFC(F)(F)c1cn2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)c2n1
InChIInChI=1S/C16H7ClF6N4/c17-10-4-7(3-8-5-24-26-13(8)10)12-9(15(18,19)20)1-2-27-6-11(16(21,22)23)25-14(12)27/h1-6H,(H,24,26)
InChIKeySSJJQPAUORKMHJ-UHFFFAOYSA-N
XLogP5.57
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.70
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine (CID 134452865) is 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine is FC(F)(F)c1cn2ccc(C(F)(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)c2n1.
What is the InChIKey of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is SSJJQPAUORKMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7ClF6N4/c17-10-4-7(3-8-5-24-26-13(8)10)12-9(15(18,19)20)1-2-27-6-11(16(21,22)23)25-14(12)27/h1-6H,(H,24,26).
What are the key properties of 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine?
8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 404.70 g/mol, XLogP of 5.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-chloro-1H-indazol-5-yl)-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 134452865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).