2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C15H18N4O2 — CID 54755371

IUPAC2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC1CCOCC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H18N4O2/c20-15(18-10-3-5-21-6-4-10)11-7-16-14-13(11)19-12(8-17-14)9-1-2-9/h7-10H,1-6H2,(H,16,17)(H,18,20)
InChIKeyAXMMRGDUSCMZCS-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.74
Rot. Bonds3

About 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54755371) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54755371
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESO=C(NC1CCOCC1)c1c[nH]c2ncc(C3CC3)nc12
InChIInChI=1S/C15H18N4O2/c20-15(18-10-3-5-21-6-4-10)11-7-16-14-13(11)19-12(8-17-14)9-1-2-9/h7-10H,1-6H2,(H,16,17)(H,18,20)
InChIKeyAXMMRGDUSCMZCS-UHFFFAOYSA-N
XLogP1.74
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-(2-cyclopropylethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125135
2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755864
N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755745
N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673425
N-(2-cyclohexylethyl)-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125149
2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674990
2-cyclohexyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 144855513
2-cyclopropyl-N-[2-cyclopropyl-2-(3,3-difluoroazetidine-1-carbonyl)cyclopropyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 162605302
2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674058
N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522109
N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide
CID 123988732
N-[(1R)-2-(2-azaspiro[3.3]heptan-2-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 129013471

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54755371) is 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is O=C(NC1CCOCC1)c1c[nH]c2ncc(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is AXMMRGDUSCMZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(18-10-3-5-21-6-4-10)11-7-16-14-13(11)19-12(8-17-14)9-1-2-9/h7-10H,1-6H2,(H,16,17)(H,18,20).
What are the key properties of 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54755371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).