2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile

C27H21N5 — CID 167580832

IUPAC2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile
SMILESCc1cc(-c2ccc(CCc3nccn4c(-c5ccccc5)cnc34)cc2C#N)ccn1
InChIInChI=1S/C27H21N5/c1-19-15-22(11-12-29-19)24-9-7-20(16-23(24)17-28)8-10-25-27-31-18-26(32(27)14-13-30-25)21-5-3-2-4-6-21/h2-7,9,11-16,18H,8,10H2,1H3
InChIKeySOFOVSQOWRLNRH-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.42
Rot. Bonds5

About 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile

2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile (PubChem CID 167580832) has the molecular formula C27H21N5 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile
PubChem CID167580832
Molecular FormulaC27H21N5
Molecular Weight415.50 g/mol
Exact Mass415.18
IUPAC Name2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile
SMILESCc1cc(-c2ccc(CCc3nccn4c(-c5ccccc5)cnc34)cc2C#N)ccn1
InChIInChI=1S/C27H21N5/c1-19-15-22(11-12-29-19)24-9-7-20(16-23(24)17-28)8-10-25-27-31-18-26(32(27)14-13-30-25)21-5-3-2-4-6-21/h2-7,9,11-16,18H,8,10H2,1H3
InChIKeySOFOVSQOWRLNRH-UHFFFAOYSA-N
XLogP5.42
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propyl]-3-phenylimidazo[1,2-a]pyrazine
CID 167575410
8-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]ethyl]-3-phenylimidazo[1,2-a]pyrazine
CID 167658582
5-(aminomethyl)-2-(2-methyl-4-pyridinyl)benzonitrile
CID 164941096
3-[3-(difluoromethyl)phenyl]-8-[2-[5-methyl-6-(3-methylphenyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine
CID 167582834
ethane;5-ethyl-2-phenylbenzonitrile
CID 145394501
2-[[5-[2-[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]ethyl]-2-(3-methylphenyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine;3-(3,5-difluorophenyl)-8-[2-[6-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazine;2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-3-(3-phenylimidazo[1,2-a]pyrazin-8-yl)propan-1-ol
CID 167704630
1-[4-[8-[2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]ethyl]imidazo[1,2-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 167546877
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 58447780
2-[3-cyano-4-(2-methyl-4-pyridinyl)phenyl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide
CID 58447714
5-[(6-bromo-2-cyclopropyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-2-phenylbenzonitrile
CID 19422675
2-[3-[7-(fluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 18001301
5-[[[3-(3,5-difluorophenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]-2-(2-methyl-4-pyridinyl)pyridin-3-ol
CID 155478922

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile (CID 167580832) is 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile is Cc1cc(-c2ccc(CCc3nccn4c(-c5ccccc5)cnc34)cc2C#N)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile?
The InChIKey is SOFOVSQOWRLNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5/c1-19-15-22(11-12-29-19)24-9-7-20(16-23(24)17-28)8-10-25-27-31-18-26(32(27)14-13-30-25)21-5-3-2-4-6-21/h2-7,9,11-16,18H,8,10H2,1H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile?
2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile has a molecular weight of 415.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-5-[2-(3-phenylimidazo[1,2-a]pyrazin-8-yl)ethyl]benzonitrile is sourced from PubChem (CID 167580832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).