butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine

C21H30N4O — CID 143580290

IUPACbutane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCC.CCOc1ccc(-c2nc3c(C)c[nH]c3nc2C)c(CC)n1
InChIInChI=1S/C17H20N4O.C4H10/c1-5-13-12(7-8-14(20-13)22-6-2)16-11(4)19-17-15(21-16)10(3)9-18-17;1-3-4-2/h7-9H,5-6H2,1-4H3,(H,18,19);3-4H2,1-2H3
InChIKeyWHPPBBFJFVGFOO-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.40
Rot. Bonds5

About butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine

butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 143580290) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Namebutane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID143580290
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Namebutane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCCCC.CCOc1ccc(-c2nc3c(C)c[nH]c3nc2C)c(CC)n1
InChIInChI=1S/C17H20N4O.C4H10/c1-5-13-12(7-8-14(20-13)22-6-2)16-11(4)19-17-15(21-16)10(3)9-18-17;1-3-4-2/h7-9H,5-6H2,1-4H3,(H,18,19);3-4H2,1-2H3
InChIKeyWHPPBBFJFVGFOO-UHFFFAOYSA-N
XLogP5.40
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine with MolForge

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Related Compounds

5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine;pentan-1-ol
CID 143580486
(2S)-2-[3-(6-ethoxy-2-ethyl-3-pyridinyl)-2,5-dimethylpyrrolo[2,3-b]pyrazin-7-yl]propan-1-ol
CID 71157493
(Z,2R)-3-[5-(6-ethoxy-2-ethyl-3-pyridinyl)-3,6-dimethylpyrazin-2-yl]-2-ethylpent-3-en-1-ol
CID 71157785
2-(6-ethoxy-2-ethyl-3-pyridinyl)-3-ethyl-7-methyl-5-(2-nitrosoethyl)pyrrolo[2,3-b]pyrazine;propane
CID 143580271
(3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methanol
CID 166990345
5-(3,6-dimethyl-1H-pyrrolo[3,2-b]pyridin-5-yl)-6-ethyl-N,N-dimethylpyridin-2-amine
CID 143015233
(6S)-2-(6-ethoxy-2-ethyl-3-pyridinyl)-6-(fluoromethyl)-6-(methoxymethyl)-3,9-dimethyl-5,7-dihydrocyclohepta[b]pyridine
CID 143580491
5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
CID 58702800
butane;ethane;5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 144752647
2-(2,4-dimethylphenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79815456
(2R)-2-[2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazin-5-yl]pentan-1-ol
CID 69408235
2-ethoxy-3-ethyl-4-methyl-1H-pyrrole
CID 130005479

Frequently Asked Questions

What is the IUPAC name of butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine (CID 143580290) is butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine is CCCC.CCOc1ccc(-c2nc3c(C)c[nH]c3nc2C)c(CC)n1.
What is the InChIKey of butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is WHPPBBFJFVGFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.C4H10/c1-5-13-12(7-8-14(20-13)22-6-2)16-11(4)19-17-15(21-16)10(3)9-18-17;1-3-4-2/h7-9H,5-6H2,1-4H3,(H,18,19);3-4H2,1-2H3.
What are the key properties of butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine?
butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 354.50 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-(6-ethoxy-2-ethyl-3-pyridinyl)-3,7-dimethyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 143580290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).