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

C20H19F3N4O3 — CID 154655770

IUPACN-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C20H19F3N4O3/c1-29-16-9-13(24-19(28)14-3-2-4-17(25-14)20(21,22)23)10-27-11-15(26-18(16)27)12-5-7-30-8-6-12/h2-4,9-12H,5-8H2,1H3,(H,24,28)
InChIKeyDWOPJMNALCIYIG-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.90
Rot. Bonds4

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

N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655770) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655770
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC NameN-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C20H19F3N4O3/c1-29-16-9-13(24-19(28)14-3-2-4-17(25-14)20(21,22)23)10-27-11-15(26-18(16)27)12-5-7-30-8-6-12/h2-4,9-12H,5-8H2,1H3,(H,24,28)
InChIKeyDWOPJMNALCIYIG-UHFFFAOYSA-N
XLogP3.90
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655770) is N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cccc(C(F)(F)F)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DWOPJMNALCIYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-29-16-9-13(24-19(28)14-3-2-4-17(25-14)20(21,22)23)10-27-11-15(26-18(16)27)12-5-7-30-8-6-12/h2-4,9-12H,5-8H2,1H3,(H,24,28).
What are the key properties of N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 420.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).