6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile

C25H20N6 — CID 175505841

IUPAC6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESCc1nc2ncc(-c3ccc4ncc(C#N)c(NCCc5ccccc5)c4c3)cc2[nH]1
InChIInChI=1S/C25H20N6/c1-16-30-23-12-19(14-29-25(23)31-16)18-7-8-22-21(11-18)24(20(13-26)15-28-22)27-10-9-17-5-3-2-4-6-17/h2-8,11-12,14-15H,9-10H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyFSORXTRMOYTDIW-UHFFFAOYSA-N
MW404.48 g/mol
LogP5.01
Rot. Bonds5

About 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile

6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile (PubChem CID 175505841) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
PubChem CID175505841
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC Name6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile
SMILESCc1nc2ncc(-c3ccc4ncc(C#N)c(NCCc5ccccc5)c4c3)cc2[nH]1
InChIInChI=1S/C25H20N6/c1-16-30-23-12-19(14-29-25(23)31-16)18-7-8-22-21(11-18)24(20(13-26)15-28-22)27-10-9-17-5-3-2-4-6-17/h2-8,11-12,14-15H,9-10H2,1H3,(H,27,28)(H,29,30,31)
InChIKeyFSORXTRMOYTDIW-UHFFFAOYSA-N
XLogP5.01
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile (CID 175505841) is 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile is Cc1nc2ncc(-c3ccc4ncc(C#N)c(NCCc5ccccc5)c4c3)cc2[nH]1.
What is the InChIKey of 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
The InChIKey is FSORXTRMOYTDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c1-16-30-23-12-19(14-29-25(23)31-16)18-7-8-22-21(11-18)24(20(13-26)15-28-22)27-10-9-17-5-3-2-4-6-17/h2-8,11-12,14-15H,9-10H2,1H3,(H,27,28)(H,29,30,31).
What are the key properties of 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile?
6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile has a molecular weight of 404.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-(2-phenylethylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 175505841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).