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

C22H19F4N5O — CID 122578370

IUPAC2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
SMILESCc1nc2ccc(F)cn2c1-c1cc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H19F4N5O/c1-13-21(31-12-15(23)4-7-20(31)28-13)18-10-17(27-8-9-32)11-19(30-18)29-16-5-2-14(3-6-16)22(24,25)26/h2-7,10-12,32H,8-9H2,1H3,(H2,27,29,30)
InChIKeyBVYLZQPQCXLXKI-UHFFFAOYSA-N
MW445.42 g/mol
LogP5.01
Rot. Bonds6

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

2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol (PubChem CID 122578370) has the molecular formula C22H19F4N5O and a molecular weight of 445.42 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
PubChem CID122578370
Molecular FormulaC22H19F4N5O
Molecular Weight445.42 g/mol
Exact Mass445.15
IUPAC Name2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol
SMILESCc1nc2ccc(F)cn2c1-c1cc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C22H19F4N5O/c1-13-21(31-12-15(23)4-7-20(31)28-13)18-10-17(27-8-9-32)11-19(30-18)29-16-5-2-14(3-6-16)22(24,25)26/h2-7,10-12,32H,8-9H2,1H3,(H2,27,29,30)
InChIKeyBVYLZQPQCXLXKI-UHFFFAOYSA-N
XLogP5.01
TPSA74.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.42
LogP ≤ 55.01
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-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol (CID 122578370) is 2-[[2-(6-fluoro-2-methylimidazo[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-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol is Cc1nc2ccc(F)cn2c1-c1cc(NCCO)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
The InChIKey is BVYLZQPQCXLXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F4N5O/c1-13-21(31-12-15(23)4-7-20(31)28-13)18-10-17(27-8-9-32)11-19(30-18)29-16-5-2-14(3-6-16)22(24,25)26/h2-7,10-12,32H,8-9H2,1H3,(H2,27,29,30).
What are the key properties of 2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol?
2-[[2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol has a molecular weight of 445.42 g/mol, XLogP of 5.01, 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-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]amino]ethanol is sourced from PubChem (CID 122578370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).