2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile

C23H26N4O — CID 145286204

IUPAC2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile
SMILESCc1nc2nccc(-c3ccc(OCC(C)CC(C)C)c(C#N)c3)c2nc1C
InChIInChI=1S/C23H26N4O/c1-14(2)10-15(3)13-28-21-7-6-18(11-19(21)12-24)20-8-9-25-23-22(20)26-16(4)17(5)27-23/h6-9,11,14-15H,10,13H2,1-5H3
InChIKeyJVQRMTLHIIAHTH-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.24
Rot. Bonds6

About 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile

2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile (PubChem CID 145286204) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile
PubChem CID145286204
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile
SMILESCc1nc2nccc(-c3ccc(OCC(C)CC(C)C)c(C#N)c3)c2nc1C
InChIInChI=1S/C23H26N4O/c1-14(2)10-15(3)13-28-21-7-6-18(11-19(21)12-24)20-8-9-25-23-22(20)26-16(4)17(5)27-23/h6-9,11,14-15H,10,13H2,1-5H3
InChIKeyJVQRMTLHIIAHTH-UHFFFAOYSA-N
XLogP5.24
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(2,4-dimethylpentoxy)benzonitrile
CID 145286192
methyl N-[4-[3-cyano-4-[(2R)-2,4-dimethylpentoxy]phenyl]-3-fluoro-2-pyridinyl]carbamate
CID 145286393
2-[(2S)-2-amino-4-methylpentoxy]-5-(2-methyl-4-pyridinyl)benzonitrile
CID 118420229
2-[(2R)-2,4-dimethylpentoxy]-5-(6-methoxypyrimidin-4-yl)benzonitrile
CID 146207844
tert-butyl carbamate;2-(2,4-dimethylpentoxy)-5-[2-(oxan-4-ylamino)-4-pyridinyl]benzonitrile
CID 145286318
2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)benzonitrile;7-bromo-2-methyl-1H-imidazo[4,5-b]pyridine
CID 158460179
ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-3-carboxylate
CID 68702096
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-1H-pyrazolo[3,4-b]pyridine;methanamine
CID 145286303
4-[4-(2,4-dimethylpentoxy)-3-fluorophenyl]-2-fluoropyridine
CID 163987326
4-[3-chloro-4-(2,4-dimethylpentoxy)phenyl]-1H-pyrazolo[3,4-b]pyridine
CID 145286186
2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid
CID 11616351
ethyl 4-[3-cyano-4-(2-methylpropoxy)phenyl]-5-methyl-1,3-thiazole-2-carboxylate
CID 175364494

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile?
The IUPAC name of 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile (CID 145286204) is 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile.
What is the SMILES notation for 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile?
The canonical SMILES for 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile is Cc1nc2nccc(-c3ccc(OCC(C)CC(C)C)c(C#N)c3)c2nc1C.
What is the InChIKey of 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile?
The InChIKey is JVQRMTLHIIAHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-14(2)10-15(3)13-28-21-7-6-18(11-19(21)12-24)20-8-9-25-23-22(20)26-16(4)17(5)27-23/h6-9,11,14-15H,10,13H2,1-5H3.
What are the key properties of 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile?
2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile has a molecular weight of 374.49 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentoxy)-5-(2,3-dimethylpyrido[2,3-b]pyrazin-8-yl)benzonitrile is sourced from PubChem (CID 145286204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).