6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile

C21H15ClN6 — CID 71211913

IUPAC6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile
SMILESN#CC1=C(NCc2cccnc2)C2=NCCN2C(C#N)=C1c1ccccc1Cl
InChIInChI=1S/C21H15ClN6/c22-17-6-2-1-5-15(17)19-16(10-23)20(27-13-14-4-3-7-25-12-14)21-26-8-9-28(21)18(19)11-24/h1-7,12,27H,8-9,13H2
InChIKeyYRMLVGZMPDKVSB-UHFFFAOYSA-N
MW386.85 g/mol
LogP3.26
Rot. Bonds4

About 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile

6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile (PubChem CID 71211913) has the molecular formula C21H15ClN6 and a molecular weight of 386.85 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile.

Molecular Properties

Compound Name6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile
PubChem CID71211913
Molecular FormulaC21H15ClN6
Molecular Weight386.85 g/mol
Exact Mass386.10
IUPAC Name6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile
SMILESN#CC1=C(NCc2cccnc2)C2=NCCN2C(C#N)=C1c1ccccc1Cl
InChIInChI=1S/C21H15ClN6/c22-17-6-2-1-5-15(17)19-16(10-23)20(27-13-14-4-3-7-25-12-14)21-26-8-9-28(21)18(19)11-24/h1-7,12,27H,8-9,13H2
InChIKeyYRMLVGZMPDKVSB-UHFFFAOYSA-N
XLogP3.26
TPSA88.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.85
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile?
The IUPAC name of 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile (CID 71211913) is 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile.
What is the SMILES notation for 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile?
The canonical SMILES for 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile is N#CC1=C(NCc2cccnc2)C2=NCCN2C(C#N)=C1c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile?
The InChIKey is YRMLVGZMPDKVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN6/c22-17-6-2-1-5-15(17)19-16(10-23)20(27-13-14-4-3-7-25-12-14)21-26-8-9-28(21)18(19)11-24/h1-7,12,27H,8-9,13H2.
What are the key properties of 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile?
6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile has a molecular weight of 386.85 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-8-(pyridin-3-ylmethylamino)-2,3-dihydroimidazo[1,2-a]pyridine-5,7-dicarbonitrile is sourced from PubChem (CID 71211913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).