4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile

C23H20N4O2 — CID 144997091

IUPAC4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCOc1nc(-c2ccc(C#N)cc2)c(-c2ccc(C)c(C(C)O)c2)n2ccnc12
InChIInChI=1S/C23H20N4O2/c1-14-4-7-18(12-19(14)15(2)28)21-20(17-8-5-16(13-24)6-9-17)26-23(29-3)22-25-10-11-27(21)22/h4-12,15,28H,1-3H3
InChIKeyZXASINNVASMYIJ-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.31
Rot. Bonds4

About 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile

4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 144997091) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID144997091
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCOc1nc(-c2ccc(C#N)cc2)c(-c2ccc(C)c(C(C)O)c2)n2ccnc12
InChIInChI=1S/C23H20N4O2/c1-14-4-7-18(12-19(14)15(2)28)21-20(17-8-5-16(13-24)6-9-17)26-23(29-3)22-25-10-11-27(21)22/h4-12,15,28H,1-3H3
InChIKeyZXASINNVASMYIJ-UHFFFAOYSA-N
XLogP4.31
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[6-(4-isocyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-a]pyrazin-5-yl]-2-methylphenyl]ethanol
CID 158681323
4-(5-chloro-8-methoxyimidazo[1,2-a]pyrazin-6-yl)benzonitrile;piperidine
CID 144997023
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645890
6-(4-cyanophenyl)-8-methoxy-N-methyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 144997084
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-[2-[(1R)-1-hydroxyethyl]-1-methylbenzimidazol-5-yl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645948
4-[3-(4-methylphenyl)-8-piperidin-1-ylimidazo[1,2-a]pyrazin-2-yl]benzonitrile
CID 175805741
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
CID 12911598
4-[5-amino-6-methoxy-3-(4-methylphenyl)pyrazin-2-yl]benzonitrile
CID 144996685
4-[8-[3-(hydroxymethyl)-4-methylphenyl]-5-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,2-c]pyrimidin-7-yl]benzonitrile
CID 122584014
8-methoxy-6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]imidazo[1,2-a]pyrazine
CID 118445615
4-[5-(3-amino-1-methylindazol-5-yl)-8-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645801

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 144997091) is 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile is COc1nc(-c2ccc(C#N)cc2)c(-c2ccc(C)c(C(C)O)c2)n2ccnc12.
What is the InChIKey of 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The InChIKey is ZXASINNVASMYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-4-7-18(12-19(14)15(2)28)21-20(17-8-5-16(13-24)6-9-17)26-23(29-3)22-25-10-11-27(21)22/h4-12,15,28H,1-3H3.
What are the key properties of 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile?
4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 384.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(1-hydroxyethyl)-4-methylphenyl]-8-methoxyimidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 144997091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).