4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid

C22H11Cl2F2N3O4 — CID 5330622

IUPAC4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid
SMILESNc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C22H11Cl2F2N3O4/c23-11-2-1-3-12(24)16(11)19(30)9-4-5-15-28-21(27)18(29(15)8-9)20(31)17-13(25)6-10(22(32)33)7-14(17)26/h1-8H,27H2,(H,32,33)
InChIKeyIWQIIBKBBPPPCF-UHFFFAOYSA-N
MW490.25 g/mol
LogP4.66
Rot. Bonds5

About 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid

4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid (PubChem CID 5330622) has the molecular formula C22H11Cl2F2N3O4 and a molecular weight of 490.25 g/mol. Its IUPAC name is 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid
PubChem CID5330622
Molecular FormulaC22H11Cl2F2N3O4
Molecular Weight490.25 g/mol
Exact Mass489.01
IUPAC Name4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid
SMILESNc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cc(C(=O)O)cc1F
InChIInChI=1S/C22H11Cl2F2N3O4/c23-11-2-1-3-12(24)16(11)19(30)9-4-5-15-28-21(27)18(29(15)8-9)20(31)17-13(25)6-10(22(32)33)7-14(17)26/h1-8H,27H2,(H,32,33)
InChIKeyIWQIIBKBBPPPCF-UHFFFAOYSA-N
XLogP4.66
TPSA114.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.25
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 2l
CID 5330611
Aminoimidazo[1,2-a]pyridine deriv. 15
CID 5330615
Aminoimidazo[1,2-a]pyridine deriv. 42
CID 5330618
Aminoimidazo[1,2-a]pyridine deriv. 37
CID 5330623
Aminoimidazo[1,2-a]pyridine deriv. 31
CID 5330624
Aminoimidazo[1,2-a]pyridine deriv. 7
CID 5330629
Aminoimidazo[1,2-a]pyridine deriv. 12
CID 5330634
Aminoimidazo[1,2-a]pyridine deriv. 21
CID 5330639
4-[4-[[(7-Chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]benzoic acid
CID 90683059
4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo [1,5-a]pyridin-1-yl]cyclohexanecarboxylic acid
CID 117964946
4-[3-(2,6-Dichlorobenzoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
CID 117964950
4-[3-[2-Chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]-3-fluorobenzoic acid
CID 117964962

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid?
The IUPAC name of 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid (CID 5330622) is 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid?
The canonical SMILES for 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid is Nc1nc2ccc(C(=O)c3c(Cl)cccc3Cl)cn2c1C(=O)c1c(F)cc(C(=O)O)cc1F.
What is the InChIKey of 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid?
The InChIKey is IWQIIBKBBPPPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11Cl2F2N3O4/c23-11-2-1-3-12(24)16(11)19(30)9-4-5-15-28-21(27)18(29(15)8-9)20(31)17-13(25)6-10(22(32)33)7-14(17)26/h1-8H,27H2,(H,32,33).
What are the key properties of 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid?
4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid has a molecular weight of 490.25 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzoic acid is sourced from PubChem (CID 5330622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).