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

C20H13F2N3O — CID 22626660

IUPAC[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F2N3O/c21-15-8-14(9-16(22)10-15)18-20(23)24-17-7-6-13(11-25(17)18)19(26)12-4-2-1-3-5-12/h1-11H,23H2
InChIKeySHFJXIGNMSLZFG-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.09
Rot. Bonds3

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

[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone (PubChem CID 22626660) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
PubChem CID22626660
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
SMILESNc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C20H13F2N3O/c21-15-8-14(9-16(22)10-15)18-20(23)24-17-7-6-13(11-25(17)18)19(26)12-4-2-1-3-5-12/h1-11H,23H2
InChIKeySHFJXIGNMSLZFG-UHFFFAOYSA-N
XLogP4.09
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
The IUPAC name of [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone (CID 22626660) is [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
The canonical SMILES for [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone is Nc1nc2ccc(C(=O)c3ccccc3)cn2c1-c1cc(F)cc(F)c1.
What is the InChIKey of [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
The InChIKey is SHFJXIGNMSLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-15-8-14(9-16(22)10-15)18-20(23)24-17-7-6-13(11-25(17)18)19(26)12-4-2-1-3-5-12/h1-11H,23H2.
What are the key properties of [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone?
[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone has a molecular weight of 349.34 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone is sourced from PubChem (CID 22626660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).