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

C15H22N6O3S — CID 46234561

IUPAC1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCCCS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C15H22N6O3S/c1-2-8-25(23,24)21-7-3-4-11(10-21)18-15(22)20-13-9-17-14-12(19-13)5-6-16-14/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,17)(H2,18,19,20,22)/t11-/m1/s1
InChIKeySBOHKFPSDBFHCW-LLVKDONJSA-N
MW366.45 g/mol
LogP1.28
Rot. Bonds5

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

1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (PubChem CID 46234561) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
PubChem CID46234561
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
SMILESCCCS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cnc3[nH]ccc3n2)C1
InChIInChI=1S/C15H22N6O3S/c1-2-8-25(23,24)21-7-3-4-11(10-21)18-15(22)20-13-9-17-14-12(19-13)5-6-16-14/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,17)(H2,18,19,20,22)/t11-/m1/s1
InChIKeySBOHKFPSDBFHCW-LLVKDONJSA-N
XLogP1.28
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea with MolForge

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Related Compounds

1-(1-cyclopropylsulfonylpiperidin-3-yl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46233745
1-[(3S)-1-acetylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46236114
(3S)-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamoylamino)pyrrolidine-1-carboxylic acid
CID 140552160
1-(3-methylcyclohexyl)-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46235785
trans-(1S,3S)-N-methyl-3-(5H-pyrrolo[2,3-b]pyrazin-2-ylcarbamoylamino)cyclopentane-1-carboxamide
CID 59363362
1-[(1S,2R)-2-methylcycloheptyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 46234076
1-[(1-propan-2-ylsulfonylpyrrolidin-2-yl)methyl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea
CID 59363357
N-(1-propylsulfonylpiperidin-3-yl)acetamide
CID 61384209
N-[1-(3,3-dimethylbutylsulfonyl)piperidin-3-yl]-2-methylsulfanyl-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
CID 50995155
2-ethoxy-N-(1-methylsulfonylpiperidin-3-yl)-5-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyrimidin-4-amine
CID 50995343
1-(1-propan-2-ylsulfonylpiperidin-3-yl)-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 67385861
1-(4-methylphenyl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 94779137

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The IUPAC name of 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea (CID 46234561) is 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea.
What is the SMILES notation for 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The canonical SMILES for 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is CCCS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cnc3[nH]ccc3n2)C1.
What is the InChIKey of 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
The InChIKey is SBOHKFPSDBFHCW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-2-8-25(23,24)21-7-3-4-11(10-21)18-15(22)20-13-9-17-14-12(19-13)5-6-16-14/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,16,17)(H2,18,19,20,22)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea?
1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea has a molecular weight of 366.45 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-propylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)urea is sourced from PubChem (CID 46234561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).