[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone

C20H12F3N3O — CID 22626719

IUPAC[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1cc(F)c(F)cc1F
InChIInChI=1S/C20H12F3N3O/c21-14-9-16(23)15(22)8-13(14)18-20(24)25-17-7-6-12(10-26(17)18)19(27)11-4-2-1-3-5-11/h1-10H,24H2
InChIKeyOXFXISVPRQXRNQ-UHFFFAOYSA-N
MW367.33 g/mol
LogP4.23
Rot. Bonds3

About [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone

[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone (PubChem CID 22626719) has the molecular formula C20H12F3N3O and a molecular weight of 367.33 g/mol. Its IUPAC name is [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
PubChem CID22626719
Molecular FormulaC20H12F3N3O
Molecular Weight367.33 g/mol
Exact Mass367.09
IUPAC Name[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1cc(F)c(F)cc1F
InChIInChI=1S/C20H12F3N3O/c21-14-9-16(23)15(22)8-13(14)18-20(24)25-17-7-6-12(10-26(17)18)19(27)11-4-2-1-3-5-11/h1-10H,24H2
InChIKeyOXFXISVPRQXRNQ-UHFFFAOYSA-N
XLogP4.23
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
The IUPAC name of [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone (CID 22626719) is [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
The canonical SMILES for [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone is Nc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1cc(F)c(F)cc1F.
What is the InChIKey of [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
The InChIKey is OXFXISVPRQXRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O/c21-14-9-16(23)15(22)8-13(14)18-20(24)25-17-7-6-12(10-26(17)18)19(27)11-4-2-1-3-5-11/h1-10H,24H2.
What are the key properties of [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone has a molecular weight of 367.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone is sourced from PubChem (CID 22626719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).