1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol

C21H22F2N6O — CID 175976650

IUPAC1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol
SMILESCCC(O)C(F)(F)c1ccc(C)c(-c2cnc3c(N)nc(-c4ccnn4C)cn23)c1
InChIInChI=1S/C21H22F2N6O/c1-4-18(30)21(22,23)13-6-5-12(2)14(9-13)17-10-25-20-19(24)27-15(11-29(17)20)16-7-8-26-28(16)3/h5-11,18,30H,4H2,1-3H3,(H2,24,27)
InChIKeyUXRJBEQNKPWRLP-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.55
Rot. Bonds5

About 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol

1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol (PubChem CID 175976650) has the molecular formula C21H22F2N6O and a molecular weight of 412.44 g/mol. Its IUPAC name is 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol.

Molecular Properties

Compound Name1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol
PubChem CID175976650
Molecular FormulaC21H22F2N6O
Molecular Weight412.44 g/mol
Exact Mass412.18
IUPAC Name1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol
SMILESCCC(O)C(F)(F)c1ccc(C)c(-c2cnc3c(N)nc(-c4ccnn4C)cn23)c1
InChIInChI=1S/C21H22F2N6O/c1-4-18(30)21(22,23)13-6-5-12(2)14(9-13)17-10-25-20-19(24)27-15(11-29(17)20)16-7-8-26-28(16)3/h5-11,18,30H,4H2,1-3H3,(H2,24,27)
InChIKeyUXRJBEQNKPWRLP-UHFFFAOYSA-N
XLogP3.55
TPSA94.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
[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
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
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-(5-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
CID 138619352
1-[3-[4-amino-2-(2-methyl-1,3-oxazol-5-yl)imidazo[2,1-f][1,2,4]triazin-7-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
CID 175976654
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
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
2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 138619508
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol?
The IUPAC name of 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) is 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol.
What is the SMILES notation for 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol?
The canonical SMILES for 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol is CCC(O)C(F)(F)c1ccc(C)c(-c2cnc3c(N)nc(-c4ccnn4C)cn23)c1.
What is the InChIKey of 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol?
The InChIKey is UXRJBEQNKPWRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O/c1-4-18(30)21(22,23)13-6-5-12(2)14(9-13)17-10-25-20-19(24)27-15(11-29(17)20)16-7-8-26-28(16)3/h5-11,18,30H,4H2,1-3H3,(H2,24,27).
What are the key properties of 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol?
1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol has a molecular weight of 412.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-amino-6-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluorobutan-2-ol is sourced from PubChem (CID 175976650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).