N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine

C21H17FN4O2 — CID 25115179

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3cccc(F)n3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C21H17FN4O2/c1-13-5-8-19-25-20(15-3-2-4-18(22)24-15)21(26(19)12-13)23-14-6-7-16-17(11-14)28-10-9-27-16/h2-8,11-12,23H,9-10H2,1H3
InChIKeyLTKHVKUJQJROTL-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.36
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 25115179) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID25115179
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3cccc(F)n3)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C21H17FN4O2/c1-13-5-8-19-25-20(15-3-2-4-18(22)24-15)21(26(19)12-13)23-14-6-7-16-17(11-14)28-10-9-27-16/h2-8,11-12,23H,9-10H2,1H3
InChIKeyLTKHVKUJQJROTL-UHFFFAOYSA-N
XLogP4.36
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 25113840
4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 7338736
N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine
CID 58402529
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine;2-(3,5-difluoro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine;4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,6-dimethylphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 159689574
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methylimidazo[1,2-a]pyridin-2-yl]-3,5-difluorobenzonitrile
CID 58402513
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
CID 4059941
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-fluoroimidazo[1,2-a]pyridin-3-amine
CID 58402642
2-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 25117011
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 163329459
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 36688055
2-(3,5-difluoro-4-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-propoxyimidazo[1,2-a]pyridin-3-amine
CID 58402509

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine (CID 25115179) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3cccc(F)n3)c(Nc3ccc4c(c3)OCCO4)n2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is LTKHVKUJQJROTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13-5-8-19-25-20(15-3-2-4-18(22)24-15)21(26(19)12-13)23-14-6-7-16-17(11-14)28-10-9-27-16/h2-8,11-12,23H,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 376.39 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 25115179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).