N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

C45H21F15N6O4 — CID 22626737

IUPACN-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3c(F)c(F)c(F)c(F)c3F)n2c1.O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3c(F)cccc3C(F)(F)F)n2c1
InChIInChI=1S/C23H12F7N3O2.C22H9F8N3O2/c24-15-8-4-7-14(22(25,26)27)17(15)18-20(32-21(35)23(28,29)30)31-16-10-9-13(11-33(16)18)19(34)12-5-2-1-3-6-12;23-13-12(14(24)16(26)17(27)15(13)25)18-20(32-21(35)22(28,29)30)31-11-7-6-10(8-33(11)18)19(34)9-4-2-1-3-5-9/h1-11H,(H,32,35);1-8H,(H,32,35)
InChIKeyGIRWMUWIHIMFJC-UHFFFAOYSA-N
MW994.67 g/mol
LogP11.32
Rot. Bonds8

About N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 22626737) has the molecular formula C45H21F15N6O4 and a molecular weight of 994.67 g/mol. Its IUPAC name is N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID22626737
Molecular FormulaC45H21F15N6O4
Molecular Weight994.67 g/mol
Exact Mass994.14
IUPAC NameN-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3c(F)c(F)c(F)c(F)c3F)n2c1.O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3c(F)cccc3C(F)(F)F)n2c1
InChIInChI=1S/C23H12F7N3O2.C22H9F8N3O2/c24-15-8-4-7-14(22(25,26)27)17(15)18-20(32-21(35)23(28,29)30)31-16-10-9-13(11-33(16)18)19(34)12-5-2-1-3-6-12;23-13-12(14(24)16(26)17(27)15(13)25)18-20(32-21(35)22(28,29)30)31-11-7-6-10(8-33(11)18)19(34)9-4-2-1-3-5-9/h1-11H,(H,32,35);1-8H,(H,32,35)
InChIKeyGIRWMUWIHIMFJC-UHFFFAOYSA-N
XLogP11.32
TPSA126.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.67
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

2,2,2-trifluoro-N-[6-(4-fluorobenzoyl)-3-[2-fluoro-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 22626681
[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626719
N-[6-benzoyl-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 73456550
[2-amino-3-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626654
[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626660
[2-amino-3-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626644
N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
CID 73456580
N-(6-chloro-3-phenylsulfanylimidazo[1,2-a]pyridin-2-yl)-2,2,2-trifluoroacetamide
CID 15352761
(2-amino-3-naphthalen-2-ylimidazo[1,2-a]pyridin-6-yl)-phenylmethanone
CID 22626702
N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 73456563
(NE)-N-[[2-amino-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 59879971
3-(2-fluoro-6-hydroxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 136789864

Frequently Asked Questions

What is the IUPAC name of N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (CID 22626737) is N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3c(F)c(F)c(F)c(F)c3F)n2c1.O=C(c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3c(F)cccc3C(F)(F)F)n2c1.
What is the InChIKey of N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is GIRWMUWIHIMFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12F7N3O2.C22H9F8N3O2/c24-15-8-4-7-14(22(25,26)27)17(15)18-20(32-21(35)23(28,29)30)31-16-10-9-13(11-33(16)18)19(34)12-5-2-1-3-6-12;23-13-12(14(24)16(26)17(27)15(13)25)18-20(32-21(35)22(28,29)30)31-11-7-6-10(8-33(11)18)19(34)9-4-2-1-3-5-9/h1-11H,(H,32,35);1-8H,(H,32,35).
What are the key properties of N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 994.67 g/mol, XLogP of 11.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22626737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).