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

C22H15F2N3O2 — CID 5330631

IUPAC[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
InChIInChI=1S/C22H15F2N3O2/c1-12-5-2-3-6-14(12)20(28)13-9-10-17-26-22(25)19(27(17)11-13)21(29)18-15(23)7-4-8-16(18)24/h2-11H,25H2,1H3
InChIKeyUCLLQNWKNKYTQR-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.97
Rot. Bonds4

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

[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone (PubChem CID 5330631) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone
PubChem CID5330631
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1
InChIInChI=1S/C22H15F2N3O2/c1-12-5-2-3-6-14(12)20(28)13-9-10-17-26-22(25)19(27(17)11-13)21(29)18-15(23)7-4-8-16(18)24/h2-11H,25H2,1H3
InChIKeyUCLLQNWKNKYTQR-UHFFFAOYSA-N
XLogP3.97
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylphenyl)methanone?
The IUPAC name of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone (CID 5330631) is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=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-methylphenyl)methanone?
The InChIKey is UCLLQNWKNKYTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c1-12-5-2-3-6-14(12)20(28)13-9-10-17-26-22(25)19(27(17)11-13)21(29)18-15(23)7-4-8-16(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-methylphenyl)methanone?
[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2-methylphenyl)methanone has a molecular weight of 391.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylphenyl)methanone is sourced from PubChem (CID 5330631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).