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

C22H13F4N3O — CID 5330625

IUPAC[2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone
SMILESC=C(c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F
InChIInChI=1S/C22H13F4N3O/c1-11(18-13(23)4-2-5-14(18)24)12-8-9-17-28-22(27)20(29(17)10-12)21(30)19-15(25)6-3-7-16(19)26/h2-10H,1,27H2
InChIKeyICEZFAGZFCHSIY-UHFFFAOYSA-N
MW411.36 g/mol
LogP4.77
Rot. Bonds4

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

[2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone (PubChem CID 5330625) has the molecular formula C22H13F4N3O and a molecular weight of 411.36 g/mol. Its IUPAC name is [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone
PubChem CID5330625
Molecular FormulaC22H13F4N3O
Molecular Weight411.36 g/mol
Exact Mass411.10
IUPAC Name[2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone
SMILESC=C(c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F
InChIInChI=1S/C22H13F4N3O/c1-11(18-13(23)4-2-5-14(18)24)12-8-9-17-28-22(27)20(29(17)10-12)21(30)19-15(25)6-3-7-16(19)26/h2-10H,1,27H2
InChIKeyICEZFAGZFCHSIY-UHFFFAOYSA-N
XLogP4.77
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone (CID 5330625) is [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone is C=C(c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F.
What is the InChIKey of [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is ICEZFAGZFCHSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N3O/c1-11(18-13(23)4-2-5-14(18)24)12-8-9-17-28-22(27)20(29(17)10-12)21(30)19-15(25)6-3-7-16(19)26/h2-10H,1,27H2.
What are the key properties of [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone?
[2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 411.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[1-(2,6-difluorophenyl)ethenyl]imidazo[1,2-a]pyridin-3-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).