N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H17FN4O2 — CID 58522264

IUPACN-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3)nc12)C1CC1
InChIInChI=1S/C18H17FN4O2/c1-10(11-2-3-11)22-18(24)14-8-20-17-16(14)23-15(9-21-17)25-13-6-4-12(19)5-7-13/h4-11H,2-3H2,1H3,(H,20,21)(H,22,24)
InChIKeyHVMSJPJOIDHLNZ-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.42
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 58522264) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID58522264
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3)nc12)C1CC1
InChIInChI=1S/C18H17FN4O2/c1-10(11-2-3-11)22-18(24)14-8-20-17-16(14)23-15(9-21-17)25-13-6-4-12(19)5-7-13/h4-11H,2-3H2,1H3,(H,20,21)(H,22,24)
InChIKeyHVMSJPJOIDHLNZ-UHFFFAOYSA-N
XLogP3.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673425
2-[[(3R)-3-(carbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522324
N-[(2S)-butan-2-yl]-2-[[(1S)-1-(2-oxopropyl)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522148
2-[(8-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]-N-(1-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 123604955
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382238
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(oxetan-3-yl)ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285775
N-ethyl-2-[[3-(methanesulfinamido)-2,3-dihydro-1H-inden-5-yl]oxy]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 123404184
N-[(2S)-butan-2-yl]-2-(1-prop-2-enoylpiperidin-4-yl)oxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 122673749
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540821
2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674990
2-[[(3R)-3-(methylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67009123

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 58522264) is N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3)nc12)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HVMSJPJOIDHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-10(11-2-3-11)22-18(24)14-8-20-17-16(14)23-15(9-21-17)25-13-6-4-12(19)5-7-13/h4-11H,2-3H2,1H3,(H,20,21)(H,22,24).
What are the key properties of N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(4-fluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 58522264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).