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

C22H21F3N6O3 — CID 138619537

IUPAC8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1cc(CNC(=O)c2cn3c(-c4cc(C(C)(O)C(F)(F)F)ccc4C)cnc3c(N)n2)on1
InChIInChI=1S/C22H21F3N6O3/c1-11-4-5-13(21(3,33)22(23,24)25)7-15(11)17-9-27-19-18(26)29-16(10-31(17)19)20(32)28-8-14-6-12(2)30-34-14/h4-7,9-10,33H,8H2,1-3H3,(H2,26,29)(H,28,32)
InChIKeyLKNKAKXVDWROSW-UHFFFAOYSA-N
MW474.44 g/mol
LogP3.28
Rot. Bonds5

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

8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138619537) has the molecular formula C22H21F3N6O3 and a molecular weight of 474.44 g/mol. Its IUPAC name is 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138619537
Molecular FormulaC22H21F3N6O3
Molecular Weight474.44 g/mol
Exact Mass474.16
IUPAC Name8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCc1cc(CNC(=O)c2cn3c(-c4cc(C(C)(O)C(F)(F)F)ccc4C)cnc3c(N)n2)on1
InChIInChI=1S/C22H21F3N6O3/c1-11-4-5-13(21(3,33)22(23,24)25)7-15(11)17-9-27-19-18(26)29-16(10-31(17)19)20(32)28-8-14-6-12(2)30-34-14/h4-7,9-10,33H,8H2,1-3H3,(H2,26,29)(H,28,32)
InChIKeyLKNKAKXVDWROSW-UHFFFAOYSA-N
XLogP3.28
TPSA131.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 138619537) is 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is Cc1cc(CNC(=O)c2cn3c(-c4cc(C(C)(O)C(F)(F)F)ccc4C)cnc3c(N)n2)on1.
What is the InChIKey of 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is LKNKAKXVDWROSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O3/c1-11-4-5-13(21(3,33)22(23,24)25)7-15(11)17-9-27-19-18(26)29-16(10-31(17)19)20(32)28-8-14-6-12(2)30-34-14/h4-7,9-10,33H,8H2,1-3H3,(H2,26,29)(H,28,32).
What are the key properties of 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 138619537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).