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

C20H13F5N4O — CID 122555258

IUPAC[6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESOCc1nc2ccc(F)cn2c1-c1cccc(Nc2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C20H13F5N4O/c21-11-4-7-18-28-16(10-30)19(29(18)9-11)15-2-1-3-17(27-15)26-12-5-6-13(14(22)8-12)20(23,24)25/h1-9,30H,10H2,(H,26,27)
InChIKeyWIBWPXUBAJLPQN-UHFFFAOYSA-N
MW420.34 g/mol
LogP4.93
Rot. Bonds4

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

[6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol (PubChem CID 122555258) has the molecular formula C20H13F5N4O and a molecular weight of 420.34 g/mol. Its IUPAC name is [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol.

Molecular Properties

Compound Name[6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
PubChem CID122555258
Molecular FormulaC20H13F5N4O
Molecular Weight420.34 g/mol
Exact Mass420.10
IUPAC Name[6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol
SMILESOCc1nc2ccc(F)cn2c1-c1cccc(Nc2ccc(C(F)(F)F)c(F)c2)n1
InChIInChI=1S/C20H13F5N4O/c21-11-4-7-18-28-16(10-30)19(29(18)9-11)15-2-1-3-17(27-15)26-12-5-6-13(14(22)8-12)20(23,24)25/h1-9,30H,10H2,(H,26,27)
InChIKeyWIBWPXUBAJLPQN-UHFFFAOYSA-N
XLogP4.93
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The IUPAC name of [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol (CID 122555258) is [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol.
What is the SMILES notation for [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The canonical SMILES for [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol is OCc1nc2ccc(F)cn2c1-c1cccc(Nc2ccc(C(F)(F)F)c(F)c2)n1.
What is the InChIKey of [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
The InChIKey is WIBWPXUBAJLPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O/c21-11-4-7-18-28-16(10-30)19(29(18)9-11)15-2-1-3-17(27-15)26-12-5-6-13(14(22)8-12)20(23,24)25/h1-9,30H,10H2,(H,26,27).
What are the key properties of [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol?
[6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol has a molecular weight of 420.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-3-[6-[3-fluoro-4-(trifluoromethyl)anilino]-2-pyridinyl]imidazo[1,2-a]pyridin-2-yl]methanol is sourced from PubChem (CID 122555258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).