6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C22H20F5N5O5 — CID 154998256

IUPAC6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1nc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4CCOCC43)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19F2N5O3.C2HF3O2/c1-29-20-18-24-14(16-10-5-6-30-9-11(10)16)7-27(18)8-15(26-20)25-19(28)13-4-2-3-12(23-13)17(21)22;3-2(4,5)1(6)7/h2-4,7-8,10-11,16-17H,5-6,9H2,1H3,(H,25,28);(H,6,7)
InChIKeyIYCIQUOCAMRZMG-UHFFFAOYSA-N
MW529.42 g/mol
LogP3.71
Rot. Bonds5

About 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998256) has the molecular formula C22H20F5N5O5 and a molecular weight of 529.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998256
Molecular FormulaC22H20F5N5O5
Molecular Weight529.42 g/mol
Exact Mass529.14
IUPAC Name6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1nc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4CCOCC43)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H19F2N5O3.C2HF3O2/c1-29-20-18-24-14(16-10-5-6-30-9-11(10)16)7-27(18)8-15(26-20)25-19(28)13-4-2-3-12(23-13)17(21)22;3-2(4,5)1(6)7/h2-4,7-8,10-11,16-17H,5-6,9H2,1H3,(H,25,28);(H,6,7)
InChIKeyIYCIQUOCAMRZMG-UHFFFAOYSA-N
XLogP3.71
TPSA127.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyrazin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655470
N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
CID 154655177
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998213
2-methoxy-N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carboxamide
CID 154655303
6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
CID 164984762
6-(difluoromethyl)-N-[2-(oxolan-3-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655212
6-(difluoromethyl)-N-[2-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]-8-methoxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154998330
2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(6-propan-2-yl-2-pyridinyl)ethanone
CID 165031668
6-(difluoromethyl)-N-[7-(2-methylpropoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655195
N-[8-hydroxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 154655080
8-methoxy-2-(oxan-4-yl)-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 155437450
6-(difluoromethyl)-N-[7-methoxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]pyridine-2-carboxamide
CID 154655651

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998256) is 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is COc1nc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3C4CCOCC43)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IYCIQUOCAMRZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O3.C2HF3O2/c1-29-20-18-24-14(16-10-5-6-30-9-11(10)16)7-27(18)8-15(26-20)25-19(28)13-4-2-3-12(23-13)17(21)22;3-2(4,5)1(6)7/h2-4,7-8,10-11,16-17H,5-6,9H2,1H3,(H,25,28);(H,6,7).
What are the key properties of 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 529.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[8-methoxy-2-(3-oxabicyclo[4.1.0]heptan-7-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).