6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C24H26F2N4O3 — CID 154655612

IUPAC6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C24H26F2N4O3/c1-14(2)33-18-9-20-29-19(24-8-7-23(3,12-24)32-13-24)11-30(20)10-17(18)28-22(31)16-6-4-5-15(27-16)21(25)26/h4-6,9-11,14,21H,7-8,12-13H2,1-3H3,(H,28,31)
InChIKeyZSPXTEQYNLPSSY-UHFFFAOYSA-N
MW456.49 g/mol
LogP4.92
Rot. Bonds6

About 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655612) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655612
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C24H26F2N4O3/c1-14(2)33-18-9-20-29-19(24-8-7-23(3,12-24)32-13-24)11-30(20)10-17(18)28-22(31)16-6-4-5-15(27-16)21(25)26/h4-6,9-11,14,21H,7-8,12-13H2,1-3H3,(H,28,31)
InChIKeyZSPXTEQYNLPSSY-UHFFFAOYSA-N
XLogP4.92
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-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-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655612) is 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CC(C)Oc1cc2nc(C34CCC(C)(C3)OC4)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is ZSPXTEQYNLPSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-14(2)33-18-9-20-29-19(24-8-7-23(3,12-24)32-13-24)11-30(20)10-17(18)28-22(31)16-6-4-5-15(27-16)21(25)26/h4-6,9-11,14,21H,7-8,12-13H2,1-3H3,(H,28,31).
What are the key properties of 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).