N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

C23H18F3N3O2 — CID 45273623

IUPACN-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C23H18F3N3O2/c1-14(30)20-13-29-12-19(10-11-21(29)28-20)27-22(31)17-4-2-15(3-5-17)16-6-8-18(9-7-16)23(24,25)26/h2-14,30H,1H3,(H,27,31)
InChIKeyPZYHGXGNJUMRKE-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.33
Rot. Bonds4

About N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 45273623) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID45273623
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C23H18F3N3O2/c1-14(30)20-13-29-12-19(10-11-21(29)28-20)27-22(31)17-4-2-15(3-5-17)16-6-8-18(9-7-16)23(24,25)26/h2-14,30H,1H3,(H,27,31)
InChIKeyPZYHGXGNJUMRKE-UHFFFAOYSA-N
XLogP5.33
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Linaprazan
CID 9951066
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
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N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 56929808
4-(tert-Butyl)-N-(3-(8-(phenylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)benzamide
CID 11397050
3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 24825841
3-(Imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
CID 24827068
4-[6-benzyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropyl-2-methylbenzamide
CID 57382738
US9718828, Example, 551
CID 71235465
US9718828, Example, 494
CID 90311949
4-[8-amino-3-[(2R,5S)-4-(cyclopropanecarbonyl)-5-methylmorpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 121455095
US10513523, Example 37
CID 122655974
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748359

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 45273623) is N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is CC(O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PZYHGXGNJUMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-14(30)20-13-29-12-19(10-11-21(29)28-20)27-22(31)17-4-2-15(3-5-17)16-6-8-18(9-7-16)23(24,25)26/h2-14,30H,1H3,(H,27,31).
What are the key properties of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 425.41 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45273623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).