3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide

C23H20F3N5O2 — CID 138561641

IUPAC3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cc(C(N)=O)ccc3F)cn12
InChIInChI=1S/C23H20F3N5O2/c1-11-3-5-13(23(2,33)22(25)26)8-14(11)18-9-29-21-19(27)30-17(10-31(18)21)15-7-12(20(28)32)4-6-16(15)24/h3-10,22,33H,1-2H3,(H2,27,30)(H2,28,32)
InChIKeyFUKGITYOQDDYCL-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.66
Rot. Bonds5

About 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide

3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide (PubChem CID 138561641) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide
PubChem CID138561641
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cc(C(N)=O)ccc3F)cn12
InChIInChI=1S/C23H20F3N5O2/c1-11-3-5-13(23(2,33)22(25)26)8-14(11)18-9-29-21-19(27)30-17(10-31(18)21)15-7-12(20(28)32)4-6-16(15)24/h3-10,22,33H,1-2H3,(H2,27,30)(H2,28,32)
InChIKeyFUKGITYOQDDYCL-UHFFFAOYSA-N
XLogP3.66
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide?
The IUPAC name of 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide (CID 138561641) is 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide.
What is the SMILES notation for 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide?
The canonical SMILES for 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide is Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-c3cc(C(N)=O)ccc3F)cn12.
What is the InChIKey of 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide?
The InChIKey is FUKGITYOQDDYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-11-3-5-13(23(2,33)22(25)26)8-14(11)18-9-29-21-19(27)30-17(10-31(18)21)15-7-12(20(28)32)4-6-16(15)24/h3-10,22,33H,1-2H3,(H2,27,30)(H2,28,32).
What are the key properties of 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide?
3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide has a molecular weight of 455.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-3-[5-(1,1-difluoro-2-hydroxypropan-2-yl)-2-methylphenyl]imidazo[1,2-a]pyrazin-6-yl]-4-fluorobenzamide is sourced from PubChem (CID 138561641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).