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

C21H11Cl2F2N3O2 — CID 5330634

IUPAC[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C21H11Cl2F2N3O2/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
InChIKeyKYTXZKLSVMDSST-UHFFFAOYSA-N
MW446.24 g/mol
LogP4.96
Rot. Bonds4

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

[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 5330634) has the molecular formula C21H11Cl2F2N3O2 and a molecular weight of 446.24 g/mol. Its IUPAC name is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
PubChem CID5330634
Molecular FormulaC21H11Cl2F2N3O2
Molecular Weight446.24 g/mol
Exact Mass445.02
IUPAC Name[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cccc1F
InChIInChI=1S/C21H11Cl2F2N3O2/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2
InChIKeyKYTXZKLSVMDSST-UHFFFAOYSA-N
XLogP4.96
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 54.96
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]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone (CID 5330634) is [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone is Nc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cccc1F.
What is the InChIKey of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is KYTXZKLSVMDSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F2N3O2/c22-11-3-1-4-12(23)16(11)19(29)10-7-8-15-27-21(26)18(28(15)9-10)20(30)17-13(24)5-2-6-14(17)25/h1-9H,26H2.
What are the key properties of [2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone?
[2-amino-3-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-6-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 446.24 g/mol, XLogP of 4.96, 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]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 5330634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).