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

C22H21F5N4O4 — CID 154998213

IUPAC6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20F2N4O2.C2HF3O2/c1-12-9-14(23-20(27)16-4-2-3-15(24-16)18(21)22)10-26-11-17(25-19(12)26)13-5-7-28-8-6-13;3-2(4,5)1(6)7/h2-4,9-11,13,18H,5-8H2,1H3,(H,23,27);(H,6,7)
InChIKeyORHSKMYKIACFPO-UHFFFAOYSA-N
MW500.42 g/mol
LogP4.75
Rot. Bonds4

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

6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998213) has the molecular formula C22H21F5N4O4 and a molecular weight of 500.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998213
Molecular FormulaC22H21F5N4O4
Molecular Weight500.42 g/mol
Exact Mass500.15
IUPAC Name6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C20H20F2N4O2.C2HF3O2/c1-12-9-14(23-20(27)16-4-2-3-15(24-16)18(21)22)10-26-11-17(25-19(12)26)13-5-7-28-8-6-13;3-2(4,5)1(6)7/h2-4,9-11,13,18H,5-8H2,1H3,(H,23,27);(H,6,7)
InChIKeyORHSKMYKIACFPO-UHFFFAOYSA-N
XLogP4.75
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998213) is 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ORHSKMYKIACFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2.C2HF3O2/c1-12-9-14(23-20(27)16-4-2-3-15(24-16)18(21)22)10-26-11-17(25-19(12)26)13-5-7-28-8-6-13;3-2(4,5)1(6)7/h2-4,9-11,13,18H,5-8H2,1H3,(H,23,27);(H,6,7).
What are the key properties of 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 500.42 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).