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

C22H22F2N4O — CID 68640753

IUPAC[2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESCC(C)CCn1cc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)cn1
InChIInChI=1S/C22H22F2N4O/c1-14(2)7-8-28-11-16(9-25-28)20-12-27-10-15(3-6-21(27)26-20)17-4-5-19(23)18(13-29)22(17)24/h3-6,9-12,14,29H,7-8,13H2,1-2H3
InChIKeyGBRCOBCFFWNWJZ-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.68
Rot. Bonds6

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

[2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (PubChem CID 68640753) has the molecular formula C22H22F2N4O and a molecular weight of 396.44 g/mol. Its IUPAC name is [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
PubChem CID68640753
Molecular FormulaC22H22F2N4O
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name[2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol
SMILESCC(C)CCn1cc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)cn1
InChIInChI=1S/C22H22F2N4O/c1-14(2)7-8-28-11-16(9-25-28)20-12-27-10-15(3-6-21(27)26-20)17-4-5-19(23)18(13-29)22(17)24/h3-6,9-12,14,29H,7-8,13H2,1-2H3
InChIKeyGBRCOBCFFWNWJZ-UHFFFAOYSA-N
XLogP4.68
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The IUPAC name of [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol (CID 68640753) is [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol.
What is the SMILES notation for [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The canonical SMILES for [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is CC(C)CCn1cc(-c2cn3cc(-c4ccc(F)c(CO)c4F)ccc3n2)cn1.
What is the InChIKey of [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
The InChIKey is GBRCOBCFFWNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O/c1-14(2)7-8-28-11-16(9-25-28)20-12-27-10-15(3-6-21(27)26-20)17-4-5-19(23)18(13-29)22(17)24/h3-6,9-12,14,29H,7-8,13H2,1-2H3.
What are the key properties of [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol?
[2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol has a molecular weight of 396.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-3-[2-[1-(3-methylbutyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-6-yl]phenyl]methanol is sourced from PubChem (CID 68640753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).