2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid

C25H22F3N5O3 — CID 71572051

IUPAC2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2ccc(-c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)
InChIKeyUNWXUCUCEFLFIK-UHFFFAOYSA-N
MW497.48 g/mol
LogP5.51
Rot. Bonds6

About 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid

2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (PubChem CID 71572051) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
PubChem CID71572051
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2ccc(-c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33)
InChIKeyUNWXUCUCEFLFIK-UHFFFAOYSA-N
XLogP5.51
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.48
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (CID 71572051) is 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is O=C(O)CC1CCC(Oc2ccc(-c3ccc(-c4nc5ncc(C(F)(F)F)cc5[nH]4)cn3)cn2)CC1.
What is the InChIKey of 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The InChIKey is UNWXUCUCEFLFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c26-25(27,28)17-10-20-24(31-13-17)33-23(32-20)16-3-7-19(29-12-16)15-4-8-21(30-11-15)36-18-5-1-14(2-6-18)9-22(34)35/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,34,35)(H,31,32,33).
What are the key properties of 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid has a molecular weight of 497.48 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[5-[6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 71572051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).