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

C22H12Cl2F2N4O3 — CID 5330623

IUPAC4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(Cl)cccc4Cl)cn23)c(F)c1
InChIInChI=1S/C22H12Cl2F2N4O3/c23-11-2-1-3-12(24)16(11)19(31)9-4-5-15-29-21(27)18(30(15)8-9)20(32)17-13(25)6-10(22(28)33)7-14(17)26/h1-8H,27H2,(H2,28,33)
InChIKeyDBMDDPPJNJATQH-UHFFFAOYSA-N
MW489.27 g/mol
LogP4.06
Rot. Bonds5

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

4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide (PubChem CID 5330623) has the molecular formula C22H12Cl2F2N4O3 and a molecular weight of 489.27 g/mol. Its IUPAC name is 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide
PubChem CID5330623
Molecular FormulaC22H12Cl2F2N4O3
Molecular Weight489.27 g/mol
Exact Mass488.03
IUPAC Name4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide
SMILESNC(=O)c1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(Cl)cccc4Cl)cn23)c(F)c1
InChIInChI=1S/C22H12Cl2F2N4O3/c23-11-2-1-3-12(24)16(11)19(31)9-4-5-15-29-21(27)18(30(15)8-9)20(32)17-13(25)6-10(22(28)33)7-14(17)26/h1-8H,27H2,(H2,28,33)
InChIKeyDBMDDPPJNJATQH-UHFFFAOYSA-N
XLogP4.06
TPSA120.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.27
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-difluorobenzamide?
The IUPAC name of 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide (CID 5330623) is 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide.
What is the SMILES notation for 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide?
The canonical SMILES for 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide is NC(=O)c1cc(F)c(C(=O)c2c(N)nc3ccc(C(=O)c4c(Cl)cccc4Cl)cn23)c(F)c1.
What is the InChIKey of 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide?
The InChIKey is DBMDDPPJNJATQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2F2N4O3/c23-11-2-1-3-12(24)16(11)19(31)9-4-5-15-29-21(27)18(30(15)8-9)20(32)17-13(25)6-10(22(28)33)7-14(17)26/h1-8H,27H2,(H2,28,33).
What are the key properties of 4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide?
4-[2-amino-6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridine-3-carbonyl]-3,5-difluorobenzamide has a molecular weight of 489.27 g/mol, XLogP of 4.06, 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-difluorobenzamide is sourced from PubChem (CID 5330623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).