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

C20H14ClFN4O2 — CID 58402609

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H14ClFN4O2/c21-13-2-1-3-14(22)18(13)19-20(26-7-6-23-11-17(26)25-19)24-12-4-5-15-16(10-12)28-9-8-27-15/h1-7,10-11,24H,8-9H2
InChIKeyPTAPQFAYMXRORY-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.70
Rot. Bonds3

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

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 58402609) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID58402609
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine
SMILESFc1cccc(Cl)c1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H14ClFN4O2/c21-13-2-1-3-14(22)18(13)19-20(26-7-6-23-11-17(26)25-19)24-12-4-5-15-16(10-12)28-9-8-27-15/h1-7,10-11,24H,8-9H2
InChIKeyPTAPQFAYMXRORY-UHFFFAOYSA-N
XLogP4.70
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine (CID 58402609) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[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)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine is Fc1cccc(Cl)c1-c1nc2cnccn2c1Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is PTAPQFAYMXRORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c21-13-2-1-3-14(22)18(13)19-20(26-7-6-23-11-17(26)25-19)24-12-4-5-15-16(10-12)28-9-8-27-15/h1-7,10-11,24H,8-9H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 396.81 g/mol, XLogP of 4.70, 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)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 58402609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).