2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine

C19H14ClFN6O — CID 70833629

IUPAC2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine
SMILESNc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(-c2nc(C3CC3)no2)nc1
InChIInChI=1S/C19H14ClFN6O/c20-11-2-1-3-12(21)14(11)18-24-15(16(22)25-18)10-6-7-13(23-8-10)19-26-17(27-28-19)9-4-5-9/h1-3,6-9H,4-5,22H2,(H,24,25)
InChIKeyZSDCWSUKTMQNHT-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.44
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine

2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine (PubChem CID 70833629) has the molecular formula C19H14ClFN6O and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine
PubChem CID70833629
Molecular FormulaC19H14ClFN6O
Molecular Weight396.81 g/mol
Exact Mass396.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine
SMILESNc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(-c2nc(C3CC3)no2)nc1
InChIInChI=1S/C19H14ClFN6O/c20-11-2-1-3-12(21)14(11)18-24-15(16(22)25-18)10-6-7-13(23-8-10)19-26-17(27-28-19)9-4-5-9/h1-3,6-9H,4-5,22H2,(H,24,25)
InChIKeyZSDCWSUKTMQNHT-UHFFFAOYSA-N
XLogP4.44
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine with MolForge

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Related Compounds

2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile
CID 68789449
N-[5-[4-amino-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-2-(trifluoromethyl)benzamide
CID 70833648
3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole
CID 68791665
5-(2,6-difluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014868
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
3-chloro-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65401426
2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 70833482
5-(5-fluoro-2-pyridinyl)-3-(6-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 77183124
5-(2,6-dichlorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63026121
5-(2,6-difluorophenyl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024920
3-fluoro-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789902
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine (CID 70833629) is 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine is Nc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(-c2nc(C3CC3)no2)nc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine?
The InChIKey is ZSDCWSUKTMQNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6O/c20-11-2-1-3-12(21)14(11)18-24-15(16(22)25-18)10-6-7-13(23-8-10)19-26-17(27-28-19)9-4-5-9/h1-3,6-9H,4-5,22H2,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine?
2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine has a molecular weight of 396.81 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine is sourced from PubChem (CID 70833629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).