2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

C21H13Cl2F3N4O2 — CID 56997866

IUPAC2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1c(Cc2ncccc2O)ccn2cc(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H13Cl2F3N4O2/c22-12-3-1-4-13(23)17(12)20(32)29-18-11(9-14-15(31)5-2-7-27-14)6-8-30-10-16(21(24,25)26)28-19(18)30/h1-8,10,31H,9H2,(H,29,32)
InChIKeyXVXKZKUCHTVGFT-UHFFFAOYSA-N
MW481.26 g/mol
LogP5.60
Rot. Bonds4

About 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 56997866) has the molecular formula C21H13Cl2F3N4O2 and a molecular weight of 481.26 g/mol. Its IUPAC name is 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID56997866
Molecular FormulaC21H13Cl2F3N4O2
Molecular Weight481.26 g/mol
Exact Mass480.04
IUPAC Name2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1c(Cc2ncccc2O)ccn2cc(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C21H13Cl2F3N4O2/c22-12-3-1-4-13(23)17(12)20(32)29-18-11(9-14-15(31)5-2-7-27-14)6-8-30-10-16(21(24,25)26)28-19(18)30/h1-8,10,31H,9H2,(H,29,32)
InChIKeyXVXKZKUCHTVGFT-UHFFFAOYSA-N
XLogP5.60
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.26
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (CID 56997866) is 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is O=C(Nc1c(Cc2ncccc2O)ccn2cc(C(F)(F)F)nc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is XVXKZKUCHTVGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N4O2/c22-12-3-1-4-13(23)17(12)20(32)29-18-11(9-14-15(31)5-2-7-27-14)6-8-30-10-16(21(24,25)26)28-19(18)30/h1-8,10,31H,9H2,(H,29,32).
What are the key properties of 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 481.26 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[7-[(3-hydroxy-2-pyridinyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 56997866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).