6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

C17H14F6N6 — CID 10070489

IUPAC6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C17H14F6N6/c18-16(19,20)10-8-12-13(25-9-10)27-15(26-12)29-6-4-28(5-7-29)14-11(17(21,22)23)2-1-3-24-14/h1-3,8-9H,4-7H2,(H,25,26,27)
InChIKeyCTCLKKHXJLNTPO-UHFFFAOYSA-N
MW416.33 g/mol
LogP3.72
Rot. Bonds2

About 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 10070489) has the molecular formula C17H14F6N6 and a molecular weight of 416.33 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID10070489
Molecular FormulaC17H14F6N6
Molecular Weight416.33 g/mol
Exact Mass416.12
IUPAC Name6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1
InChIInChI=1S/C17H14F6N6/c18-16(19,20)10-8-12-13(25-9-10)27-15(26-12)29-6-4-28(5-7-29)14-11(17(21,22)23)2-1-3-24-14/h1-3,8-9H,4-7H2,(H,25,26,27)
InChIKeyCTCLKKHXJLNTPO-UHFFFAOYSA-N
XLogP3.72
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 10070489) is 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is FC(F)(F)c1cnc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.
What is the InChIKey of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CTCLKKHXJLNTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N6/c18-16(19,20)10-8-12-13(25-9-10)27-15(26-12)29-6-4-28(5-7-29)14-11(17(21,22)23)2-1-3-24-14/h1-3,8-9H,4-7H2,(H,25,26,27).
What are the key properties of 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 416.33 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10070489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).