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

C18H18F3N5O2 — CID 138562233

IUPAC8-amino-N-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)c1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C18H18F3N5O2/c1-9-4-5-10(17(2,28)18(19,20)21)6-11(9)13-7-24-15-14(22)25-12(8-26(13)15)16(27)23-3/h4-8,28H,1-3H3,(H2,22,25)(H,23,27)
InChIKeyXHCVERLASWIGCB-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.42
Rot. Bonds3

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

8-amino-N-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 138562233) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 8-amino-N-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-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID138562233
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name8-amino-N-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCNC(=O)c1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1
InChIInChI=1S/C18H18F3N5O2/c1-9-4-5-10(17(2,28)18(19,20)21)6-11(9)13-7-24-15-14(22)25-12(8-26(13)15)16(27)23-3/h4-8,28H,1-3H3,(H2,22,25)(H,23,27)
InChIKeyXHCVERLASWIGCB-UHFFFAOYSA-N
XLogP2.42
TPSA105.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-amino-N-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-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 138562233) is 8-amino-N-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-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-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CNC(=O)c1cn2c(-c3cc(C(C)(O)C(F)(F)F)ccc3C)cnc2c(N)n1.
What is the InChIKey of 8-amino-N-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is XHCVERLASWIGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-9-4-5-10(17(2,28)18(19,20)21)6-11(9)13-7-24-15-14(22)25-12(8-26(13)15)16(27)23-3/h4-8,28H,1-3H3,(H2,22,25)(H,23,27).
What are the key properties of 8-amino-N-methyl-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
8-amino-N-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 393.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-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 138562233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).