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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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).