6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C26H26F6N4O6 — CID 154998121

IUPAC6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)Oc1c(NC(=O)c2cccc(OCC(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H25F3N4O4.C2HF3O2/c1-13(2)35-20-15(29-22(32)14-5-4-6-18(28-14)33-9-17(25)26)7-31-8-16(30-21(31)19(20)27)24-10-23(3,11-24)34-12-24;3-2(4,5)1(6)7/h4-8,13,17H,9-12H2,1-3H3,(H,29,32);(H,6,7)
InChIKeyGUORKQHEWYHUAM-UHFFFAOYSA-N
MW604.50 g/mol
LogP5.01
Rot. Bonds8

About 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998121) has the molecular formula C26H26F6N4O6 and a molecular weight of 604.50 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998121
Molecular FormulaC26H26F6N4O6
Molecular Weight604.50 g/mol
Exact Mass604.18
IUPAC Name6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)Oc1c(NC(=O)c2cccc(OCC(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1F.O=C(O)C(F)(F)F
InChIInChI=1S/C24H25F3N4O4.C2HF3O2/c1-13(2)35-20-15(29-22(32)14-5-4-6-18(28-14)33-9-17(25)26)7-31-8-16(30-21(31)19(20)27)24-10-23(3,11-24)34-12-24;3-2(4,5)1(6)7/h4-8,13,17H,9-12H2,1-3H3,(H,29,32);(H,6,7)
InChIKeyGUORKQHEWYHUAM-UHFFFAOYSA-N
XLogP5.01
TPSA124.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.50
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[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-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998121) is 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)Oc1c(NC(=O)c2cccc(OCC(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GUORKQHEWYHUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4.C2HF3O2/c1-13(2)35-20-15(29-22(32)14-5-4-6-18(28-14)33-9-17(25)26)7-31-8-16(30-21(31)19(20)27)24-10-23(3,11-24)34-12-24;3-2(4,5)1(6)7/h4-8,13,17H,9-12H2,1-3H3,(H,29,32);(H,6,7).
What are the key properties of 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 604.50 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-N-[8-fluoro-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).