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

C21H11Cl2F2N3O3 — CID 5330639

IUPAC[2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cc(O)cc1F
InChIInChI=1S/C21H11Cl2F2N3O3/c22-11-2-1-3-12(23)16(11)19(30)9-4-5-15-27-21(26)18(28(15)8-9)20(31)17-13(24)6-10(29)7-14(17)25/h1-8,29H,26H2
InChIKeyLMRZWFITLLJWPB-UHFFFAOYSA-N
MW462.24 g/mol
LogP4.67
Rot. Bonds4

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

[2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 5330639) has the molecular formula C21H11Cl2F2N3O3 and a molecular weight of 462.24 g/mol. Its IUPAC name is [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
PubChem CID5330639
Molecular FormulaC21H11Cl2F2N3O3
Molecular Weight462.24 g/mol
Exact Mass461.01
IUPAC Name[2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cc(O)cc1F
InChIInChI=1S/C21H11Cl2F2N3O3/c22-11-2-1-3-12(23)16(11)19(30)9-4-5-15-27-21(26)18(28(15)8-9)20(31)17-13(24)6-10(29)7-14(17)25/h1-8,29H,26H2
InChIKeyLMRZWFITLLJWPB-UHFFFAOYSA-N
XLogP4.67
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.24
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (CID 5330639) is [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone is Nc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cc(O)cc1F.
What is the InChIKey of [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is LMRZWFITLLJWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F2N3O3/c22-11-2-1-3-12(23)16(11)19(30)9-4-5-15-27-21(26)18(28(15)8-9)20(31)17-13(24)6-10(29)7-14(17)25/h1-8,29H,26H2.
What are the key properties of [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
[2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 462.24 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-(2,6-difluoro-4-hydroxybenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 5330639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).