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

C18H16F2N4O2 — CID 54674062

IUPACN-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12)C1CC1
InChIInChI=1S/C18H16F2N4O2/c1-9(10-2-3-10)23-18(25)12-7-21-17-16(12)24-15(8-22-17)26-14-5-4-11(19)6-13(14)20/h4-10H,2-3H2,1H3,(H,21,22)(H,23,25)
InChIKeyJWESUCAZBPSYDB-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.56
Rot. Bonds5

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

N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54674062) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54674062
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12)C1CC1
InChIInChI=1S/C18H16F2N4O2/c1-9(10-2-3-10)23-18(25)12-7-21-17-16(12)24-15(8-22-17)26-14-5-4-11(19)6-13(14)20/h4-10H,2-3H2,1H3,(H,21,22)(H,23,25)
InChIKeyJWESUCAZBPSYDB-UHFFFAOYSA-N
XLogP3.56
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.56
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-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54674062) is N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(Oc3ccc(F)cc3F)nc12)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is JWESUCAZBPSYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-9(10-2-3-10)23-18(25)12-7-21-17-16(12)24-15(8-22-17)26-14-5-4-11(19)6-13(14)20/h4-10H,2-3H2,1H3,(H,21,22)(H,23,25).
What are the key properties of N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(1-cyclopropylethyl)-2-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.56, 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-(2,4-difluorophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54674062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).