1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

C14H18N6O2 — CID 67385649

IUPAC1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC(=O)C(NC(=O)Nc1cnc2[nH]ccc2n1)C1CCCN1
InChIInChI=1S/C14H18N6O2/c1-8(21)12(9-3-2-5-15-9)20-14(22)19-11-7-17-13-10(18-11)4-6-16-13/h4,6-7,9,12,15H,2-3,5H2,1H3,(H,16,17)(H2,18,19,20,22)
InChIKeyKRTLWJHPRLZMSU-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.79
Rot. Bonds4

About 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (PubChem CID 67385649) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
PubChem CID67385649
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC(=O)C(NC(=O)Nc1cnc2[nH]ccc2n1)C1CCCN1
InChIInChI=1S/C14H18N6O2/c1-8(21)12(9-3-2-5-15-9)20-14(22)19-11-7-17-13-10(18-11)4-6-16-13/h4,6-7,9,12,15H,2-3,5H2,1H3,(H,16,17)(H2,18,19,20,22)
InChIKeyKRTLWJHPRLZMSU-UHFFFAOYSA-N
XLogP0.79
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea with MolForge

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46234405
1-cyclohexyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46235625
1-[1-(2-cyano-acetyl)-piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-urea
CID 46235938
1-(1-acetylpiperidin-3-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46236112
US9617258, Example 177
CID 118115499
US9617258, Example 176
CID 118115835
US9617258, Example 180
CID 118115865
US11111242, Example 336
CID 118116035
US9617258, Example 336
CID 118116036
US9617258, Example 335
CID 118116050
US9617258, Example 186
CID 118116204
US9617258, Example 167
CID 118116342

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The IUPAC name of 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (CID 67385649) is 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.
What is the SMILES notation for 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The canonical SMILES for 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is CC(=O)C(NC(=O)Nc1cnc2[nH]ccc2n1)C1CCCN1.
What is the InChIKey of 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The InChIKey is KRTLWJHPRLZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-8(21)12(9-3-2-5-15-9)20-14(22)19-11-7-17-13-10(18-11)4-6-16-13/h4,6-7,9,12,15H,2-3,5H2,1H3,(H,16,17)(H2,18,19,20,22).
What are the key properties of 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea has a molecular weight of 302.34 g/mol, XLogP of 0.79, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-pyrrolidin-2-ylpropyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is sourced from PubChem (CID 67385649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).