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

C19H16BrF3N4O2 — CID 154655525

IUPACN-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16BrF3N4O2/c20-13-8-12(24-18(28)14-2-1-3-16(25-14)19(21,22)23)9-27-10-15(26-17(13)27)11-4-6-29-7-5-11/h1-3,8-11H,4-7H2,(H,24,28)
InChIKeyBCFGLATZHYBPCP-UHFFFAOYSA-N
MW469.26 g/mol
LogP4.66
Rot. Bonds3

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

N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154655525) has the molecular formula C19H16BrF3N4O2 and a molecular weight of 469.26 g/mol. Its IUPAC name is N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154655525
Molecular FormulaC19H16BrF3N4O2
Molecular Weight469.26 g/mol
Exact Mass468.04
IUPAC NameN-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16BrF3N4O2/c20-13-8-12(24-18(28)14-2-1-3-16(25-14)19(21,22)23)9-27-10-15(26-17(13)27)11-4-6-29-7-5-11/h1-3,8-11H,4-7H2,(H,24,28)
InChIKeyBCFGLATZHYBPCP-UHFFFAOYSA-N
XLogP4.66
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.26
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154655525) is N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc(Br)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is BCFGLATZHYBPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrF3N4O2/c20-13-8-12(24-18(28)14-2-1-3-16(25-14)19(21,22)23)9-27-10-15(26-17(13)27)11-4-6-29-7-5-11/h1-3,8-11H,4-7H2,(H,24,28).
What are the key properties of N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 469.26 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).