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

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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).