2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine

C22H17ClFN3O2 — CID 58402621

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc12
InChIInChI=1S/C22H17ClFN3O2/c1-13-4-3-9-27-21(13)26-20(19-15(23)5-2-6-16(19)24)22(27)25-14-7-8-17-18(12-14)29-11-10-28-17/h2-9,12,25H,10-11H2,1H3
InChIKeyNNJYBAWZVGRRDO-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.62
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 58402621) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID58402621
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc12
InChIInChI=1S/C22H17ClFN3O2/c1-13-4-3-9-27-21(13)26-20(19-15(23)5-2-6-16(19)24)22(27)25-14-7-8-17-18(12-14)29-11-10-28-17/h2-9,12,25H,10-11H2,1H3
InChIKeyNNJYBAWZVGRRDO-UHFFFAOYSA-N
XLogP5.62
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-8-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine (CID 58402621) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine is Cc1cccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc12.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is NNJYBAWZVGRRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-13-4-3-9-27-21(13)26-20(19-15(23)5-2-6-16(19)24)22(27)25-14-7-8-17-18(12-14)29-11-10-28-17/h2-9,12,25H,10-11H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 409.85 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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)-8-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 58402621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).