2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H19FN4O3 — CID 144894141

IUPAC2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCOc1cnc2[nH]cc(C(=O)N(C)CCOc3ccc(F)cc3)c2n1
InChIInChI=1S/C18H19FN4O3/c1-3-25-15-11-21-17-16(22-15)14(10-20-17)18(24)23(2)8-9-26-13-6-4-12(19)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyPMOAVRCKUDTWPH-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.65
Rot. Bonds7

About 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 144894141) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID144894141
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCOc1cnc2[nH]cc(C(=O)N(C)CCOc3ccc(F)cc3)c2n1
InChIInChI=1S/C18H19FN4O3/c1-3-25-15-11-21-17-16(22-15)14(10-20-17)18(24)23(2)8-9-26-13-6-4-12(19)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21)
InChIKeyPMOAVRCKUDTWPH-UHFFFAOYSA-N
XLogP2.65
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(3r)-3-Acetamido-2,3-Dihydro-1h-Inden-5-Yl]oxy]-N-[(1s)-1-Cyclopropylethyl]-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 67008828
1-[4-[[[5-[3-(3-fluorophenoxy)azetidine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
CID 168274289
1-[4-[[[5-[3-(4-fluorophenoxy)azetidine-1-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
CID 168295385
7-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,2,3-tetramethylimidazo[4,5-b]pyridine-6-carboxamide
CID 10743446
N-[3-fluoro-4-(1H-imidazo[4,5-b]pyridin-7-yloxy)phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 145984368
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethane-1,2-dione
CID 25024123
N-(6-(pyrimidin-5-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
CID 44250360
1-[7-(2-Methoxy-phenylamino)-3-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl]-1-morpholin-4-yl-methanone
CID 44475190
2-[[(3R)-3-acetamido-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673763
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (1-cyclopropyl-ethyl)-amide
CID 54674056
2-phenoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 54674369
2-(3-methoxyphenyl)-N-(4-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766676

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 144894141) is 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CCOc1cnc2[nH]cc(C(=O)N(C)CCOc3ccc(F)cc3)c2n1.
What is the InChIKey of 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is PMOAVRCKUDTWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-3-25-15-11-21-17-16(22-15)14(10-20-17)18(24)23(2)8-9-26-13-6-4-12(19)5-7-13/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 144894141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).