6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C23H19F7N4O4 — CID 154998589

IUPAC6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC12CC(c3cn4cc(NC(=O)c5cccc(C(F)F)n5)c(C(F)F)cc4n3)(CO1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C21H18F4N4O2.C2HF3O2/c1-20-8-21(9-20,10-31-20)15-7-29-6-14(11(17(22)23)5-16(29)28-15)27-19(30)13-4-2-3-12(26-13)18(24)25;3-2(4,5)1(6)7/h2-7,17-18H,8-10H2,1H3,(H,27,30);(H,6,7)
InChIKeyMJAIWFQWGBMEHE-UHFFFAOYSA-N
MW548.42 g/mol
LogP5.31
Rot. Bonds5

About 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998589) has the molecular formula C23H19F7N4O4 and a molecular weight of 548.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998589
Molecular FormulaC23H19F7N4O4
Molecular Weight548.42 g/mol
Exact Mass548.13
IUPAC Name6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC12CC(c3cn4cc(NC(=O)c5cccc(C(F)F)n5)c(C(F)F)cc4n3)(CO1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C21H18F4N4O2.C2HF3O2/c1-20-8-21(9-20,10-31-20)15-7-29-6-14(11(17(22)23)5-16(29)28-15)27-19(30)13-4-2-3-12(26-13)18(24)25;3-2(4,5)1(6)7/h2-7,17-18H,8-10H2,1H3,(H,27,30);(H,6,7)
InChIKeyMJAIWFQWGBMEHE-UHFFFAOYSA-N
XLogP5.31
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.42
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-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-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998589) is 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CC12CC(c3cn4cc(NC(=O)c5cccc(C(F)F)n5)c(C(F)F)cc4n3)(CO1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MJAIWFQWGBMEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2.C2HF3O2/c1-20-8-21(9-20,10-31-20)15-7-29-6-14(11(17(22)23)5-16(29)28-15)27-19(30)13-4-2-3-12(26-13)18(24)25;3-2(4,5)1(6)7/h2-7,17-18H,8-10H2,1H3,(H,27,30);(H,6,7).
What are the key properties of 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 548.42 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).