2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile

C20H21N3 — CID 82030006

IUPAC2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
SMILESCc1ccn2c(C(C)C#N)c(-c3ccc(C(C)C)cc3)nc2c1
InChIInChI=1S/C20H21N3/c1-13(2)16-5-7-17(8-6-16)19-20(15(4)12-21)23-10-9-14(3)11-18(23)22-19/h5-11,13,15H,1-4H3
InChIKeyRJYPJCWKMVNXCO-UHFFFAOYSA-N
MW303.41 g/mol
LogP5.06
Rot. Bonds3

About 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile

2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile (PubChem CID 82030006) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile.

Molecular Properties

Compound Name2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
PubChem CID82030006
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile
SMILESCc1ccn2c(C(C)C#N)c(-c3ccc(C(C)C)cc3)nc2c1
InChIInChI=1S/C20H21N3/c1-13(2)16-5-7-17(8-6-16)19-20(15(4)12-21)23-10-9-14(3)11-18(23)22-19/h5-11,13,15H,1-4H3
InChIKeyRJYPJCWKMVNXCO-UHFFFAOYSA-N
XLogP5.06
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.41
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030016
1-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029416
2-[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82029983
2-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propanenitrile
CID 82029976
2-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030409
3-(1-chloroethyl)-7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 82029854
1-[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]propan-1-ol
CID 82029619
[3-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059865
3-chloro-2-(4-iodophenyl)-7-methylimidazo[1,2-a]pyridine
CID 148822779
2-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 82030415
1-(7-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanol
CID 82029433
(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016859

Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
The IUPAC name of 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile (CID 82030006) is 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile.
What is the SMILES notation for 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
The canonical SMILES for 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile is Cc1ccn2c(C(C)C#N)c(-c3ccc(C(C)C)cc3)nc2c1.
What is the InChIKey of 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
The InChIKey is RJYPJCWKMVNXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-13(2)16-5-7-17(8-6-16)19-20(15(4)12-21)23-10-9-14(3)11-18(23)22-19/h5-11,13,15H,1-4H3.
What are the key properties of 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile?
2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile has a molecular weight of 303.41 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]propanenitrile is sourced from PubChem (CID 82030006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).