4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

C23H26F3N3O4 — CID 155727737

IUPAC4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C(C)O)ccn23)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C23H26F3N3O4/c1-13(30)22(2,3)15-6-7-29-16(11-27-19(29)10-15)14-8-17(32-4)20(18(9-14)33-5)21(31)28-12-23(24,25)26/h6-11,13,30H,12H2,1-5H3,(H,28,31)
InChIKeyCLQGYGFGOJGTMA-UHFFFAOYSA-N
MW465.47 g/mol
LogP3.97
Rot. Bonds7

About 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide

4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 155727737) has the molecular formula C23H26F3N3O4 and a molecular weight of 465.47 g/mol. Its IUPAC name is 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID155727737
Molecular FormulaC23H26F3N3O4
Molecular Weight465.47 g/mol
Exact Mass465.19
IUPAC Name4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-c2cnc3cc(C(C)(C)C(C)O)ccn23)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C23H26F3N3O4/c1-13(30)22(2,3)15-6-7-29-16(11-27-19(29)10-15)14-8-17(32-4)20(18(9-14)33-5)21(31)28-12-23(24,25)26/h6-11,13,30H,12H2,1-5H3,(H,28,31)
InChIKeyCLQGYGFGOJGTMA-UHFFFAOYSA-N
XLogP3.97
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 137636215
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CID 137659636
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CID 54767329
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CID 129125959
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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 155727737) is 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1cc(-c2cnc3cc(C(C)(C)C(C)O)ccn23)cc(OC)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is CLQGYGFGOJGTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O4/c1-13(30)22(2,3)15-6-7-29-16(11-27-19(29)10-15)14-8-17(32-4)20(18(9-14)33-5)21(31)28-12-23(24,25)26/h6-11,13,30H,12H2,1-5H3,(H,28,31).
What are the key properties of 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 465.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-hydroxy-2-methylbutan-2-yl)imidazo[1,2-a]pyridin-3-yl]-2,6-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 155727737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).