4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine

C19H20ClN5O — CID 144997023

IUPAC4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine
SMILESC1CCNCC1.COc1nc(-c2ccc(C#N)cc2)c(Cl)n2ccnc12
InChIInChI=1S/C14H9ClN4O.C5H11N/c1-20-14-13-17-6-7-19(13)12(15)11(18-14)10-4-2-9(8-16)3-5-10;1-2-4-6-5-3-1/h2-7H,1H3;6H,1-5H2
InChIKeyXAUGMWJRXWYOHL-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.69
Rot. Bonds2

About 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine

4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine (PubChem CID 144997023) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine.

Molecular Properties

Compound Name4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine
PubChem CID144997023
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine
SMILESC1CCNCC1.COc1nc(-c2ccc(C#N)cc2)c(Cl)n2ccnc12
InChIInChI=1S/C14H9ClN4O.C5H11N/c1-20-14-13-17-6-7-19(13)12(15)11(18-14)10-4-2-9(8-16)3-5-10;1-2-4-6-5-3-1/h2-7H,1H3;6H,1-5H2
InChIKeyXAUGMWJRXWYOHL-UHFFFAOYSA-N
XLogP3.69
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 144997091
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
CID 12911598
4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 175805741
4-[5-methoxy-8-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 139457620
4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile
CID 144996685
4-[8-(4-methylphenyl)-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584033
4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645890
4-[8-(3-fluoro-4-methoxyphenyl)-5-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 155401863
4-[8-[3-fluoro-4-(hydroxymethyl)phenyl]-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584072
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
4-[5-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]methoxy]-8-(6-methoxy-3-pyridinyl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584049
4-[5-[[1-(2-hydroxyethyl)piperidin-3-yl]methoxy]-8-(5-methylcyclooctyl)imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 145166160

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine?
The IUPAC name of 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine (CID 144997023) is 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine.
What is the SMILES notation for 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine?
The canonical SMILES for 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine is C1CCNCC1.COc1nc(-c2ccc(C#N)cc2)c(Cl)n2ccnc12.
What is the InChIKey of 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine?
The InChIKey is XAUGMWJRXWYOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O.C5H11N/c1-20-14-13-17-6-7-19(13)12(15)11(18-14)10-4-2-9(8-16)3-5-10;1-2-4-6-5-3-1/h2-7H,1H3;6H,1-5H2.
What are the key properties of 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine?
4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine has a molecular weight of 369.86 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine is sourced from PubChem (CID 144997023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).