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

C22H15F2N3O3 — CID 5330632

IUPAC[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
InChIInChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)20(28)12-9-10-17-26-22(25)19(27(17)11-12)21(29)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3
InChIKeyAPPNGZTWXMXGRZ-UHFFFAOYSA-N
MW407.38 g/mol
LogP3.67
Rot. Bonds5

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

[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone (PubChem CID 5330632) has the molecular formula C22H15F2N3O3 and a molecular weight of 407.38 g/mol. Its IUPAC name is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone
PubChem CID5330632
Molecular FormulaC22H15F2N3O3
Molecular Weight407.38 g/mol
Exact Mass407.11
IUPAC Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
InChIInChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)20(28)12-9-10-17-26-22(25)19(27(17)11-12)21(29)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3
InChIKeyAPPNGZTWXMXGRZ-UHFFFAOYSA-N
XLogP3.67
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 53.67
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-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone (CID 5330632) is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1.
What is the InChIKey of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone?
The InChIKey is APPNGZTWXMXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O3/c1-30-16-8-3-2-5-13(16)20(28)12-9-10-17-26-22(25)19(27(17)11-12)21(29)18-14(23)6-4-7-15(18)24/h2-11H,25H2,1H3.
What are the key properties of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone?
[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone has a molecular weight of 407.38 g/mol, XLogP of 3.67, 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-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 5330632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).