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

C22H12F5N3O2 — CID 5330630

IUPAC[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1nc2ccc(C(=O)c3ccccc3C(F)(F)F)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H12F5N3O2/c23-14-6-3-7-15(24)17(14)20(32)18-21(28)29-16-9-8-11(10-30(16)18)19(31)12-4-1-2-5-13(12)22(25,26)27/h1-10H,28H2
InChIKeyVIVMZQHQZFAZLX-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.68
Rot. Bonds4

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

[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 5330630) has the molecular formula C22H12F5N3O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID5330630
Molecular FormulaC22H12F5N3O2
Molecular Weight445.35 g/mol
Exact Mass445.08
IUPAC Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1nc2ccc(C(=O)c3ccccc3C(F)(F)F)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C22H12F5N3O2/c23-14-6-3-7-15(24)17(14)20(32)18-21(28)29-16-9-8-11(10-30(16)18)19(31)12-4-1-2-5-13(12)22(25,26)27/h1-10H,28H2
InChIKeyVIVMZQHQZFAZLX-UHFFFAOYSA-N
XLogP4.68
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 5330630) is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone is Nc1nc2ccc(C(=O)c3ccccc3C(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-(trifluoromethyl)phenyl]methanone?
The InChIKey is VIVMZQHQZFAZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F5N3O2/c23-14-6-3-7-15(24)17(14)20(32)18-21(28)29-16-9-8-11(10-30(16)18)19(31)12-4-1-2-5-13(12)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-(trifluoromethyl)phenyl]methanone?
[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 445.35 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 5330630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).