2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide

C20H22F3N5O2 — CID 138561173

IUPAC2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(CC(=O)N(C)C)cn12
InChIInChI=1S/C20H22F3N5O2/c1-11-5-6-12(19(2,30)20(21,22)23)7-14(11)15-9-25-18-17(24)26-13(10-28(15)18)8-16(29)27(3)4/h5-7,9-10,30H,8H2,1-4H3,(H2,24,26)
InChIKeyHQDNPWGPJIBQII-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.69
Rot. Bonds4

About 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide

2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide (PubChem CID 138561173) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide
PubChem CID138561173
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(CC(=O)N(C)C)cn12
InChIInChI=1S/C20H22F3N5O2/c1-11-5-6-12(19(2,30)20(21,22)23)7-14(11)15-9-25-18-17(24)26-13(10-28(15)18)8-16(29)27(3)4/h5-7,9-10,30H,8H2,1-4H3,(H2,24,26)
InChIKeyHQDNPWGPJIBQII-UHFFFAOYSA-N
XLogP2.69
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide (CID 138561173) is 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(CC(=O)N(C)C)cn12.
What is the InChIKey of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide?
The InChIKey is HQDNPWGPJIBQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-11-5-6-12(19(2,30)20(21,22)23)7-14(11)15-9-25-18-17(24)26-13(10-28(15)18)8-16(29)27(3)4/h5-7,9-10,30H,8H2,1-4H3,(H2,24,26).
What are the key properties of 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide?
2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide has a molecular weight of 421.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 138561173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).