2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol

C22H22F2N6O — CID 171820782

IUPAC2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol
SMILESCc1cc(-c2cnc(Nc3cnn(C4CC(CCO)C4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C22H22F2N6O/c1-13-6-17(19(24)9-18(13)23)20-11-26-21(22-25-3-4-29(20)22)28-15-10-27-30(12-15)16-7-14(8-16)2-5-31/h3-4,6,9-12,14,16,31H,2,5,7-8H2,1H3,(H,26,28)
InChIKeyHGHIAEBLTSXCOY-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.26
Rot. Bonds6

About 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol

2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol (PubChem CID 171820782) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol
PubChem CID171820782
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol
SMILESCc1cc(-c2cnc(Nc3cnn(C4CC(CCO)C4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C22H22F2N6O/c1-13-6-17(19(24)9-18(13)23)20-11-26-21(22-25-3-4-29(20)22)28-15-10-27-30(12-15)16-7-14(8-16)2-5-31/h3-4,6,9-12,14,16,31H,2,5,7-8H2,1H3,(H,26,28)
InChIKeyHGHIAEBLTSXCOY-UHFFFAOYSA-N
XLogP4.26
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol?
The IUPAC name of 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol (CID 171820782) is 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol.
What is the SMILES notation for 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol?
The canonical SMILES for 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol is Cc1cc(-c2cnc(Nc3cnn(C4CC(CCO)C4)c3)c3nccn23)c(F)cc1F.
What is the InChIKey of 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol?
The InChIKey is HGHIAEBLTSXCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-13-6-17(19(24)9-18(13)23)20-11-26-21(22-25-3-4-29(20)22)28-15-10-27-30(12-15)16-7-14(8-16)2-5-31/h3-4,6,9-12,14,16,31H,2,5,7-8H2,1H3,(H,26,28).
What are the key properties of 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol?
2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol has a molecular weight of 424.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[[5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]pyrazol-1-yl]cyclobutyl]ethanol is sourced from PubChem (CID 171820782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).