6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C21H18F5N5O4 — CID 154998296

IUPAC6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC12CC(c3cn4cc(NC(=O)c5cccc(C(F)F)n5)ncc4n3)(CO1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17F2N5O2.C2HF3O2/c1-18-8-19(9-18,10-28-18)13-6-26-7-14(22-5-15(26)24-13)25-17(27)12-4-2-3-11(23-12)16(20)21;3-2(4,5)1(6)7/h2-7,16H,8-10H2,1H3,(H,25,27);(H,6,7)
InChIKeyBCFOWSBCDGQFHP-UHFFFAOYSA-N
MW499.40 g/mol
LogP3.77
Rot. Bonds4

About 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998296) has the molecular formula C21H18F5N5O4 and a molecular weight of 499.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998296
Molecular FormulaC21H18F5N5O4
Molecular Weight499.40 g/mol
Exact Mass499.13
IUPAC Name6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC12CC(c3cn4cc(NC(=O)c5cccc(C(F)F)n5)ncc4n3)(CO1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C19H17F2N5O2.C2HF3O2/c1-18-8-19(9-18,10-28-18)13-6-26-7-14(22-5-15(26)24-13)25-17(27)12-4-2-3-11(23-12)16(20)21;3-2(4,5)1(6)7/h2-7,16H,8-10H2,1H3,(H,25,27);(H,6,7)
InChIKeyBCFOWSBCDGQFHP-UHFFFAOYSA-N
XLogP3.77
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998296) is 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-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-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CC12CC(c3cn4cc(NC(=O)c5cccc(C(F)F)n5)ncc4n3)(CO1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BCFOWSBCDGQFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2.C2HF3O2/c1-18-8-19(9-18,10-28-18)13-6-26-7-14(22-5-15(26)24-13)25-17(27)12-4-2-3-11(23-12)16(20)21;3-2(4,5)1(6)7/h2-7,16H,8-10H2,1H3,(H,25,27);(H,6,7).
What are the key properties of 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 499.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).