N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C26H24F6N4O5 — CID 154998152

IUPACN-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cc(C2=CCOCC2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23F3N4O3.C2HF3O2/c25-24(26,27)21-3-1-2-19(29-21)23(32)28-17-12-18(15-4-8-33-9-5-15)22-30-20(14-31(22)13-17)16-6-10-34-11-7-16;3-2(4,5)1(6)7/h1-4,12-14,16H,5-11H2,(H,28,32);(H,6,7)
InChIKeyBKDOUGYPSVBNMG-UHFFFAOYSA-N
MW586.49 g/mol
LogP5.33
Rot. Bonds4

About N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998152) has the molecular formula C26H24F6N4O5 and a molecular weight of 586.49 g/mol. Its IUPAC name is N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998152
Molecular FormulaC26H24F6N4O5
Molecular Weight586.49 g/mol
Exact Mass586.17
IUPAC NameN-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cc(C2=CCOCC2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23F3N4O3.C2HF3O2/c25-24(26,27)21-3-1-2-19(29-21)23(32)28-17-12-18(15-4-8-33-9-5-15)22-30-20(14-31(22)13-17)16-6-10-34-11-7-16;3-2(4,5)1(6)7/h1-4,12-14,16H,5-11H2,(H,28,32);(H,6,7)
InChIKeyBKDOUGYPSVBNMG-UHFFFAOYSA-N
XLogP5.33
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.49
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998152) is N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cc(C2=CCOCC2)c2nc(C3CCOCC3)cn2c1)c1cccc(C(F)(F)F)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BKDOUGYPSVBNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3.C2HF3O2/c25-24(26,27)21-3-1-2-19(29-21)23(32)28-17-12-18(15-4-8-33-9-5-15)22-30-20(14-31(22)13-17)16-6-10-34-11-7-16;3-2(4,5)1(6)7/h1-4,12-14,16H,5-11H2,(H,28,32);(H,6,7).
What are the key properties of N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 586.49 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3,6-dihydro-2H-pyran-4-yl)-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).