[2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone

C22H13F4N3O3 — CID 5330616

IUPAC[2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(F)cccc4F)cn23)c(F)c1
InChIInChI=1S/C22H13F4N3O3/c1-32-11-7-14(25)18(15(26)8-11)21(31)19-22(27)28-16-6-5-10(9-29(16)19)20(30)17-12(23)3-2-4-13(17)24/h2-9H,27H2,1H3
InChIKeySDUVOQLCGBPUHH-UHFFFAOYSA-N
MW443.36 g/mol
LogP3.94
Rot. Bonds5

About [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone

[2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone (PubChem CID 5330616) has the molecular formula C22H13F4N3O3 and a molecular weight of 443.36 g/mol. Its IUPAC name is [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
PubChem CID5330616
Molecular FormulaC22H13F4N3O3
Molecular Weight443.36 g/mol
Exact Mass443.09
IUPAC Name[2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone
SMILESCOc1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(F)cccc4F)cn23)c(F)c1
InChIInChI=1S/C22H13F4N3O3/c1-32-11-7-14(25)18(15(26)8-11)21(31)19-22(27)28-16-6-5-10(9-29(16)19)20(30)17-12(23)3-2-4-13(17)24/h2-9H,27H2,1H3
InChIKeySDUVOQLCGBPUHH-UHFFFAOYSA-N
XLogP3.94
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.36
LogP ≤ 53.94
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-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone (CID 5330616) is [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone is COc1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(F)cccc4F)cn23)c(F)c1.
What is the InChIKey of [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is SDUVOQLCGBPUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13F4N3O3/c1-32-11-7-14(25)18(15(26)8-11)21(31)19-22(27)28-16-6-5-10(9-29(16)19)20(30)17-12(23)3-2-4-13(17)24/h2-9H,27H2,1H3.
What are the key properties of [2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone?
[2-amino-3-(2,6-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 443.36 g/mol, XLogP of 3.94, 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-difluoro-4-methoxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 5330616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).