2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol

C22H16F7N5O — CID 118101441

IUPAC2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
SMILESOCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C22H16F7N5O/c23-13-3-6-18-33-20(22(27,28)29)19(34(18)11-13)16-9-15(30-7-8-35)10-17(32-16)31-14-4-1-12(2-5-14)21(24,25)26/h1-6,9-11,35H,7-8H2,(H2,30,31,32)
InChIKeyQALMOIJSNRSHJY-UHFFFAOYSA-N
MW499.39 g/mol
LogP5.72
Rot. Bonds6

About 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol

2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol (PubChem CID 118101441) has the molecular formula C22H16F7N5O and a molecular weight of 499.39 g/mol. Its IUPAC name is 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
PubChem CID118101441
Molecular FormulaC22H16F7N5O
Molecular Weight499.39 g/mol
Exact Mass499.12
IUPAC Name2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
SMILESOCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1
InChIInChI=1S/C22H16F7N5O/c23-13-3-6-18-33-20(22(27,28)29)19(34(18)11-13)16-9-15(30-7-8-35)10-17(32-16)31-14-4-1-12(2-5-14)21(24,25)26/h1-6,9-11,35H,7-8H2,(H2,30,31,32)
InChIKeyQALMOIJSNRSHJY-UHFFFAOYSA-N
XLogP5.72
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.39
LogP ≤ 55.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol (CID 118101441) is 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol is OCCNc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.
What is the InChIKey of 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
The InChIKey is QALMOIJSNRSHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F7N5O/c23-13-3-6-18-33-20(22(27,28)29)19(34(18)11-13)16-9-15(30-7-8-35)10-17(32-16)31-14-4-1-12(2-5-14)21(24,25)26/h1-6,9-11,35H,7-8H2,(H2,30,31,32).
What are the key properties of 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol has a molecular weight of 499.39 g/mol, XLogP of 5.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol is sourced from PubChem (CID 118101441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).