2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine

C21H16ClFN4O2 — CID 58402529

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine
SMILESCc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2cn1
InChIInChI=1S/C21H16ClFN4O2/c1-12-11-27-18(10-24-12)26-20(19-14(22)3-2-4-15(19)23)21(27)25-13-5-6-16-17(9-13)29-8-7-28-16/h2-6,9-11,25H,7-8H2,1H3
InChIKeyFANVNXOFULEVSX-UHFFFAOYSA-N
MW410.84 g/mol
LogP5.01
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine (PubChem CID 58402529) has the molecular formula C21H16ClFN4O2 and a molecular weight of 410.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine
PubChem CID58402529
Molecular FormulaC21H16ClFN4O2
Molecular Weight410.84 g/mol
Exact Mass410.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine
SMILESCc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2cn1
InChIInChI=1S/C21H16ClFN4O2/c1-12-11-27-18(10-24-12)26-20(19-14(22)3-2-4-15(19)23)21(27)25-13-5-6-16-17(9-13)29-8-7-28-16/h2-6,9-11,25H,7-8H2,1H3
InChIKeyFANVNXOFULEVSX-UHFFFAOYSA-N
XLogP5.01
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(2-chloro-6-nitrophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 25113840
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 25115179
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
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
2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CID 15990318
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53211014
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(fluoromethoxy)-2,6-dimethylphenyl]-5-methoxyimidazo[1,2-a]pyridin-3-amine
CID 58402590
4-N-(3-chloro-2-methylphenyl)-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine-4,6-diamine
CID 112878074

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine (CID 58402529) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine is Cc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2cn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine?
The InChIKey is FANVNXOFULEVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN4O2/c1-12-11-27-18(10-24-12)26-20(19-14(22)3-2-4-15(19)23)21(27)25-13-5-6-16-17(9-13)29-8-7-28-16/h2-6,9-11,25H,7-8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine has a molecular weight of 410.84 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 58402529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).