2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol

C22H21F2N5O3S — CID 138619352

IUPAC2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cncc(S(C)(=O)=O)c3)cn12
InChIInChI=1S/C22H21F2N5O3S/c1-12-4-5-14(22(2,30)21(23)24)7-16(12)18-10-27-20-19(25)28-17(11-29(18)20)13-6-15(9-26-8-13)33(3,31)32/h4-11,21,30H,1-3H3,(H2,25,28)
InChIKeyLRIRQVVVYNRCFJ-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.23
Rot. Bonds5

About 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol

2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (PubChem CID 138619352) has the molecular formula C22H21F2N5O3S and a molecular weight of 473.51 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
PubChem CID138619352
Molecular FormulaC22H21F2N5O3S
Molecular Weight473.51 g/mol
Exact Mass473.13
IUPAC Name2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cncc(S(C)(=O)=O)c3)cn12
InChIInChI=1S/C22H21F2N5O3S/c1-12-4-5-14(22(2,30)21(23)24)7-16(12)18-10-27-20-19(25)28-17(11-29(18)20)13-6-15(9-26-8-13)33(3,31)32/h4-11,21,30H,1-3H3,(H2,25,28)
InChIKeyLRIRQVVVYNRCFJ-UHFFFAOYSA-N
XLogP3.23
TPSA123.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-[8-amino-6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
CID 138619378
2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 166756576
[2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 138561656
2-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-N-(1-hydroxy-2-methylpropan-2-yl)cyclopropane-1-carboxamide
CID 138561575
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 158650156
3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
CID 138562354
1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol
CID 175976650
2-[3-[8-amino-6-[2-(trideuteriomethyl)pyrazol-3-yl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol;2,2,2-trifluoroacetic acid
CID 138619331
2-[3-[8-amino-6-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-(trideuteriomethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 138561909
8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 138561869
[2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate
CID 155355189

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (CID 138619352) is 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cncc(S(C)(=O)=O)c3)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The InChIKey is LRIRQVVVYNRCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3S/c1-12-4-5-14(22(2,30)21(23)24)7-16(12)18-10-27-20-19(25)28-17(11-29(18)20)13-6-15(9-26-8-13)33(3,31)32/h4-11,21,30H,1-3H3,(H2,25,28).
What are the key properties of 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol has a molecular weight of 473.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 138619352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).