[2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol

C22H23FN4O — CID 68640407

IUPAC[2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESCC(C)CCn1cc(-c2cn3cc(-c4cccc(F)c4CO)ccc3n2)cn1
InChIInChI=1S/C22H23FN4O/c1-15(2)8-9-27-12-17(10-24-27)21-13-26-11-16(6-7-22(26)25-21)18-4-3-5-20(23)19(18)14-28/h3-7,10-13,15,28H,8-9,14H2,1-2H3
InChIKeyWTEUHIGQJCUXHW-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.54
Rot. Bonds6

About [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol

[2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (PubChem CID 68640407) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
PubChem CID68640407
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name[2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESCC(C)CCn1cc(-c2cn3cc(-c4cccc(F)c4CO)ccc3n2)cn1
InChIInChI=1S/C22H23FN4O/c1-15(2)8-9-27-12-17(10-24-27)21-13-26-11-16(6-7-22(26)25-21)18-4-3-5-20(23)19(18)14-28/h3-7,10-13,15,28H,8-9,14H2,1-2H3
InChIKeyWTEUHIGQJCUXHW-UHFFFAOYSA-N
XLogP4.54
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (CID 68640407) is [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is CC(C)CCn1cc(-c2cn3cc(-c4cccc(F)c4CO)ccc3n2)cn1.
What is the InChIKey of [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The InChIKey is WTEUHIGQJCUXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-15(2)8-9-27-12-17(10-24-27)21-13-26-11-16(6-7-22(26)25-21)18-4-3-5-20(23)19(18)14-28/h3-7,10-13,15,28H,8-9,14H2,1-2H3.
What are the key properties of [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
[2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol has a molecular weight of 378.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is sourced from PubChem (CID 68640407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).