N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

C21H20F4N4O3 — CID 154655585

IUPACN-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(OCC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C21H20F4N4O3/c22-18(23)11-32-17-8-13(26-21(30)15-3-1-2-14(27-15)19(24)25)9-29-10-16(28-20(17)29)12-4-6-31-7-5-12/h1-3,8-10,12,18-19H,4-7,11H2,(H,26,30)
InChIKeyIUUXIWLVFYYWER-UHFFFAOYSA-N
MW452.41 g/mol
LogP4.46
Rot. Bonds7

About N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide

N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 154655585) has the molecular formula C21H20F4N4O3 and a molecular weight of 452.41 g/mol. Its IUPAC name is N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
PubChem CID154655585
Molecular FormulaC21H20F4N4O3
Molecular Weight452.41 g/mol
Exact Mass452.15
IUPAC NameN-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(OCC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1
InChIInChI=1S/C21H20F4N4O3/c22-18(23)11-32-17-8-13(26-21(30)15-3-1-2-14(27-15)19(24)25)9-29-10-16(28-20(17)29)12-4-6-31-7-5-12/h1-3,8-10,12,18-19H,4-7,11H2,(H,26,30)
InChIKeyIUUXIWLVFYYWER-UHFFFAOYSA-N
XLogP4.46
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide (CID 154655585) is N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc(OCC(F)F)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)F)n1.
What is the InChIKey of N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
The InChIKey is IUUXIWLVFYYWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O3/c22-18(23)11-32-17-8-13(26-21(30)15-3-1-2-14(27-15)19(24)25)9-29-10-16(28-20(17)29)12-4-6-31-7-5-12/h1-3,8-10,12,18-19H,4-7,11H2,(H,26,30).
What are the key properties of N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide?
N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 452.41 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2,2-difluoroethoxy)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).