2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile

C22H14ClFN4O2 — CID 67335745

IUPAC2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C22H14ClFN4O2/c23-15-2-1-3-16(24)20(15)21-22(28-12-13(11-25)4-7-19(28)27-21)26-14-5-6-17-18(10-14)30-9-8-29-17/h1-7,10,12,26H,8-9H2
InChIKeyZRDIYMAAXIGSTB-UHFFFAOYSA-N
MW420.83 g/mol
LogP5.18
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile

2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 67335745) has the molecular formula C22H14ClFN4O2 and a molecular weight of 420.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID67335745
Molecular FormulaC22H14ClFN4O2
Molecular Weight420.83 g/mol
Exact Mass420.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESN#Cc1ccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1
InChIInChI=1S/C22H14ClFN4O2/c23-15-2-1-3-16(24)20(15)21-22(28-12-13(11-25)4-7-19(28)27-21)26-14-5-6-17-18(10-14)30-9-8-29-17/h1-7,10,12,26H,8-9H2
InChIKeyZRDIYMAAXIGSTB-UHFFFAOYSA-N
XLogP5.18
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.83
LogP ≤ 55.18
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)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile (CID 67335745) is 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile is N#Cc1ccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is ZRDIYMAAXIGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O2/c23-15-2-1-3-16(24)20(15)21-22(28-12-13(11-25)4-7-19(28)27-21)26-14-5-6-17-18(10-14)30-9-8-29-17/h1-7,10,12,26H,8-9H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile?
2-(2-chloro-6-fluorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 420.83 g/mol, XLogP of 5.18, 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)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 67335745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).