4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol

C18H22N6O — CID 66556366

IUPAC4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCCCCO)n2)cn1
InChIInChI=1S/C18H22N6O/c1-24(2)16-6-5-13(12-22-16)14-11-15-17(20-9-8-19-15)18(23-14)21-7-3-4-10-25/h5-6,8-9,11-12,25H,3-4,7,10H2,1-2H3,(H,21,23)
InChIKeyGNMMAGUTRIXXSA-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.34
Rot. Bonds7

About 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol

4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol (PubChem CID 66556366) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol
PubChem CID66556366
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol
SMILESCN(C)c1ccc(-c2cc3nccnc3c(NCCCCO)n2)cn1
InChIInChI=1S/C18H22N6O/c1-24(2)16-6-5-13(12-22-16)14-11-15-17(20-9-8-19-15)18(23-14)21-7-3-4-10-25/h5-6,8-9,11-12,25H,3-4,7,10H2,1-2H3,(H,21,23)
InChIKeyGNMMAGUTRIXXSA-UHFFFAOYSA-N
XLogP2.34
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol?
The IUPAC name of 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol (CID 66556366) is 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol is CN(C)c1ccc(-c2cc3nccnc3c(NCCCCO)n2)cn1.
What is the InChIKey of 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol?
The InChIKey is GNMMAGUTRIXXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-24(2)16-6-5-13(12-22-16)14-11-15-17(20-9-8-19-15)18(23-14)21-7-3-4-10-25/h5-6,8-9,11-12,25H,3-4,7,10H2,1-2H3,(H,21,23).
What are the key properties of 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol?
4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol has a molecular weight of 338.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-[6-(dimethylamino)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-yl]amino]butan-1-ol is sourced from PubChem (CID 66556366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).