6-(difluoromethyl)-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

C23H23F3N4O3 — CID 154655081

IUPAC6-(difluoromethyl)-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
SMILESCC(C)Oc1c(NC(=O)c2cccc(C(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1F
InChIInChI=1S/C23H23F3N4O3/c1-12(2)33-18-15(28-21(31)14-6-4-5-13(27-14)19(25)26)7-30-8-16(29-20(30)17(18)24)23-9-22(3,10-23)32-11-23/h4-8,12,19H,9-11H2,1-3H3,(H,28,31)
InChIKeyYHGAXYKNXXVAFK-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.67
Rot. Bonds6

About 6-(difluoromethyl)-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

6-(difluoromethyl)-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 (PubChem CID 154655081) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-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.

Molecular Properties

Compound Name6-(difluoromethyl)-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
PubChem CID154655081
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name6-(difluoromethyl)-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
SMILESCC(C)Oc1c(NC(=O)c2cccc(C(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1F
InChIInChI=1S/C23H23F3N4O3/c1-12(2)33-18-15(28-21(31)14-6-4-5-13(27-14)19(25)26)7-30-8-16(29-20(30)17(18)24)23-9-22(3,10-23)32-11-23/h4-8,12,19H,9-11H2,1-3H3,(H,28,31)
InChIKeyYHGAXYKNXXVAFK-UHFFFAOYSA-N
XLogP4.67
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-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?
The IUPAC name of 6-(difluoromethyl)-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 (CID 154655081) is 6-(difluoromethyl)-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.
What is the SMILES notation for 6-(difluoromethyl)-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?
The canonical SMILES for 6-(difluoromethyl)-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 is CC(C)Oc1c(NC(=O)c2cccc(C(F)F)n2)cn2cc(C34COC(C)(C3)C4)nc2c1F.
What is the InChIKey of 6-(difluoromethyl)-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?
The InChIKey is YHGAXYKNXXVAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-12(2)33-18-15(28-21(31)14-6-4-5-13(27-14)19(25)26)7-30-8-16(29-20(30)17(18)24)23-9-22(3,10-23)32-11-23/h4-8,12,19H,9-11H2,1-3H3,(H,28,31).
What are the key properties of 6-(difluoromethyl)-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?
6-(difluoromethyl)-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 has a molecular weight of 460.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-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 is sourced from PubChem (CID 154655081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).