1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

C14H18N6O2 — CID 46234405

IUPAC1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cnc3[nH]ccc3n2)CC1
InChIInChI=1S/C14H18N6O2/c1-9(21)20-6-3-10(4-7-20)17-14(22)19-12-8-16-13-11(18-12)2-5-15-13/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16)(H2,17,18,19,22)
InChIKeyOENWWNDSTLBVIW-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.09
Rot. Bonds2

About 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea

1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (PubChem CID 46234405) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
PubChem CID46234405
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCC(=O)N1CCC(NC(=O)Nc2cnc3[nH]ccc3n2)CC1
InChIInChI=1S/C14H18N6O2/c1-9(21)20-6-3-10(4-7-20)17-14(22)19-12-8-16-13-11(18-12)2-5-15-13/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16)(H2,17,18,19,22)
InChIKeyOENWWNDSTLBVIW-UHFFFAOYSA-N
XLogP1.09
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Tofacitinib
CID 9926791
Ritlecitinib
CID 118115473
PF-956980
CID 53344620
1-{(3s)-1-[(2-Methylpropyl)sulfonyl]piperidin-3-Yl}-3-(5h-Pyrrolo[2,3-B]pyrazin-2-Yl)urea
CID 59363349
racemic-Tasocitinib
CID 9818231
4-((S)-1-methanesulfonyl-piperidin-3-ylamino)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-pyrimidin-2-ol
CID 50995341
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrazin-2-amine
CID 58177332
rac-1-((3aR,7aR)-1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)hexahydro-1H-pyrrolo[2,3-c]pyridin-6(2H)-yl)prop-2-en-1-one
CID 118115537
US9617258, Example 11
CID 118115600
US9617258, Example 14
CID 118115718
US9617258, Example 12
CID 118116131
2-cyano-N-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 123610694

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (CID 46234405) is 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is CC(=O)N1CCC(NC(=O)Nc2cnc3[nH]ccc3n2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The InChIKey is OENWWNDSTLBVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9(21)20-6-3-10(4-7-20)17-14(22)19-12-8-16-13-11(18-12)2-5-15-13/h2,5,8,10H,3-4,6-7H2,1H3,(H,15,16)(H2,17,18,19,22).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea has a molecular weight of 302.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is sourced from PubChem (CID 46234405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).