[2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone

C21H12ClF2N3O2 — CID 5330637

IUPAC[2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H12ClF2N3O2/c22-13-7-4-11(5-8-13)20(29)18-21(25)26-16-9-6-12(10-27(16)18)19(28)17-14(23)2-1-3-15(17)24/h1-10H,25H2
InChIKeyFHTOFDBQMPQMLQ-UHFFFAOYSA-N
MW411.80 g/mol
LogP4.31
Rot. Bonds4

About [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone

[2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone (PubChem CID 5330637) has the molecular formula C21H12ClF2N3O2 and a molecular weight of 411.80 g/mol. Its IUPAC name is [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone
PubChem CID5330637
Molecular FormulaC21H12ClF2N3O2
Molecular Weight411.80 g/mol
Exact Mass411.06
IUPAC Name[2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone
SMILESNc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H12ClF2N3O2/c22-13-7-4-11(5-8-13)20(29)18-21(25)26-16-9-6-12(10-27(16)18)19(28)17-14(23)2-1-3-15(17)24/h1-10H,25H2
InChIKeyFHTOFDBQMPQMLQ-UHFFFAOYSA-N
XLogP4.31
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 712408
6-chloro-N-[[4-(4-chlorophenyl)phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 53469216
7-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469219
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469411
7-chloro-N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 68234693
6-chloro-2-ethyl-N-[[4-(4-methylphenyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234858
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 70675134
Naphth(2',3':4,5)imidazo(1,2-a)pyridine-6,11-dione
CID 1530613
(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
Aminoimidazo[1,2-a]pyridine deriv. 2e
CID 5330604

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone (CID 5330637) is [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone is Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone?
The InChIKey is FHTOFDBQMPQMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF2N3O2/c22-13-7-4-11(5-8-13)20(29)18-21(25)26-16-9-6-12(10-27(16)18)19(28)17-14(23)2-1-3-15(17)24/h1-10H,25H2.
What are the key properties of [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone?
[2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone has a molecular weight of 411.80 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(2,6-difluorobenzoyl)imidazo[1,2-a]pyridin-3-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 5330637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).