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

C25H21F3N4O2 — CID 45270139

IUPACN-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)N(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C25H21F3N4O2/c1-16(33)31(2)13-22-15-32-14-21(11-12-23(32)29-22)30-24(34)19-5-3-17(4-6-19)18-7-9-20(10-8-18)25(26,27)28/h3-12,14-15H,13H2,1-2H3,(H,30,34)
InChIKeyAJYZGIPEBSDQDP-UHFFFAOYSA-N
MW466.46 g/mol
LogP5.25
Rot. Bonds5

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

N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 45270139) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID45270139
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(=O)N(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C25H21F3N4O2/c1-16(33)31(2)13-22-15-32-14-21(11-12-23(32)29-22)30-24(34)19-5-3-17(4-6-19)18-7-9-20(10-8-18)25(26,27)28/h3-12,14-15H,13H2,1-2H3,(H,30,34)
InChIKeyAJYZGIPEBSDQDP-UHFFFAOYSA-N
XLogP5.25
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 45270139) is N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is CC(=O)N(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AJYZGIPEBSDQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c1-16(33)31(2)13-22-15-32-14-21(11-12-23(32)29-22)30-24(34)19-5-3-17(4-6-19)18-7-9-20(10-8-18)25(26,27)28/h3-12,14-15H,13H2,1-2H3,(H,30,34).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 466.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45270139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).