N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C23H24F2N4O3 — CID 155437148

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C23H24F2N4O3/c1-13(2)32-16-7-19-27-17(23-10-22(3,11-23)31-12-23)9-29(19)8-14(16)21(30)28-18-6-4-5-15(26-18)20(24)25/h4-9,13,20H,10-12H2,1-3H3,(H,26,28,30)
InChIKeyFFIWIGCUDVOVKT-UHFFFAOYSA-N
MW442.47 g/mol
LogP4.53
Rot. Bonds6

About N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155437148) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155437148
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C23H24F2N4O3/c1-13(2)32-16-7-19-27-17(23-10-22(3,11-23)31-12-23)9-29(19)8-14(16)21(30)28-18-6-4-5-15(26-18)20(24)25/h4-9,13,20H,10-12H2,1-3H3,(H,26,28,30)
InChIKeyFFIWIGCUDVOVKT-UHFFFAOYSA-N
XLogP4.53
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 155437148) is N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C34COC(C)(C3)C4)cn2cc1C(=O)Nc1cccc(C(F)F)n1.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FFIWIGCUDVOVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-13(2)32-16-7-19-27-17(23-10-22(3,11-23)31-12-23)9-29(19)8-14(16)21(30)28-18-6-4-5-15(26-18)20(24)25/h4-9,13,20H,10-12H2,1-3H3,(H,26,28,30).
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155437148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).