[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone

C22H12F5N3O3 — CID 5330633

IUPAC[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESNc1nc2ccc(C(=O)c3ccccc3OC(F)(F)F)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H12F5N3O3/c23-13-5-3-6-14(24)17(13)20(32)18-21(28)29-16-9-8-11(10-30(16)18)19(31)12-4-1-2-7-15(12)33-22(25,26)27/h1-10H,28H2
InChIKeyQKSPSTLAHSVWOT-UHFFFAOYSA-N
MW461.35 g/mol
LogP4.56
Rot. Bonds5

About [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone

[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 5330633) has the molecular formula C22H12F5N3O3 and a molecular weight of 461.35 g/mol. Its IUPAC name is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID5330633
Molecular FormulaC22H12F5N3O3
Molecular Weight461.35 g/mol
Exact Mass461.08
IUPAC Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESNc1nc2ccc(C(=O)c3ccccc3OC(F)(F)F)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H12F5N3O3/c23-13-5-3-6-14(24)17(13)20(32)18-21(28)29-16-9-8-11(10-30(16)18)19(31)12-4-1-2-7-15(12)33-22(25,26)27/h1-10H,28H2
InChIKeyQKSPSTLAHSVWOT-UHFFFAOYSA-N
XLogP4.56
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 5330633) is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone is Nc1nc2ccc(C(=O)c3ccccc3OC(F)(F)F)cn2c1C(=O)c1c(F)cccc1F.
What is the InChIKey of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is QKSPSTLAHSVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F5N3O3/c23-13-5-3-6-14(24)17(13)20(32)18-21(28)29-16-9-8-11(10-30(16)18)19(31)12-4-1-2-7-15(12)33-22(25,26)27/h1-10H,28H2.
What are the key properties of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 461.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 5330633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).