1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone

C23H32N4O — CID 24768344

IUPAC1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(C(C)=O)cc1C
InChIInChI=1S/C23H32N4O/c1-6-8-12-26(7-2)21-15-17(4)25-23-22(21)24-11-13-27(23)20-10-9-19(18(5)28)14-16(20)3/h9-10,14-15,24H,6-8,11-13H2,1-5H3
InChIKeyKJPZLRJLKOPGHA-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.09
Rot. Bonds7

About 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone

1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone (PubChem CID 24768344) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone
PubChem CID24768344
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone
SMILESCCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(C(C)=O)cc1C
InChIInChI=1S/C23H32N4O/c1-6-8-12-26(7-2)21-15-17(4)25-23-22(21)24-11-13-27(23)20-10-9-19(18(5)28)14-16(20)3/h9-10,14-15,24H,6-8,11-13H2,1-5H3
InChIKeyKJPZLRJLKOPGHA-UHFFFAOYSA-N
XLogP5.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone (CID 24768344) is 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone is CCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone?
The InChIKey is KJPZLRJLKOPGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-6-8-12-26(7-2)21-15-17(4)25-23-22(21)24-11-13-27(23)20-10-9-19(18(5)28)14-16(20)3/h9-10,14-15,24H,6-8,11-13H2,1-5H3.
What are the key properties of 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone?
1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone has a molecular weight of 380.54 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-[butyl(ethyl)amino]-6-methyl-2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl]-3-methylphenyl]ethanone is sourced from PubChem (CID 24768344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).