5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile

C26H27N5 — CID 146522453

IUPAC5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile
SMILESCCC(C)c1cnc2c(NCCc3ccc(C)cc3)cc(-c3cncc(C#N)c3)cn12
InChIInChI=1S/C26H27N5/c1-4-19(3)25-16-30-26-24(29-10-9-20-7-5-18(2)6-8-20)12-23(17-31(25)26)22-11-21(13-27)14-28-15-22/h5-8,11-12,14-17,19,29H,4,9-10H2,1-3H3
InChIKeyHBKAYTXJQGXFKF-UHFFFAOYSA-N
MW409.54 g/mol
LogP5.74
Rot. Bonds7

About 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile

5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile (PubChem CID 146522453) has the molecular formula C26H27N5 and a molecular weight of 409.54 g/mol. Its IUPAC name is 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile
PubChem CID146522453
Molecular FormulaC26H27N5
Molecular Weight409.54 g/mol
Exact Mass409.23
IUPAC Name5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile
SMILESCCC(C)c1cnc2c(NCCc3ccc(C)cc3)cc(-c3cncc(C#N)c3)cn12
InChIInChI=1S/C26H27N5/c1-4-19(3)25-16-30-26-24(29-10-9-20-7-5-18(2)6-8-20)12-23(17-31(25)26)22-11-21(13-27)14-28-15-22/h5-8,11-12,14-17,19,29H,4,9-10H2,1-3H3
InChIKeyHBKAYTXJQGXFKF-UHFFFAOYSA-N
XLogP5.74
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.54
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile (CID 146522453) is 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile is CCC(C)c1cnc2c(NCCc3ccc(C)cc3)cc(-c3cncc(C#N)c3)cn12.
What is the InChIKey of 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile?
The InChIKey is HBKAYTXJQGXFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5/c1-4-19(3)25-16-30-26-24(29-10-9-20-7-5-18(2)6-8-20)12-23(17-31(25)26)22-11-21(13-27)14-28-15-22/h5-8,11-12,14-17,19,29H,4,9-10H2,1-3H3.
What are the key properties of 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile?
5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile has a molecular weight of 409.54 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-butan-2-yl-8-[2-(4-methylphenyl)ethylamino]imidazo[1,2-a]pyridin-6-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 146522453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).