2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H21N5O3S — CID 54755864

IUPAC2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C1
InChIInChI=1S/C16H21N5O3S/c1-25(23,24)21-6-2-3-11(9-21)19-16(22)12-7-17-15-14(12)20-13(8-18-15)10-4-5-10/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)(H,19,22)/t11-/m1/s1
InChIKeyKXTXIQDYAQDPBF-LLVKDONJSA-N
MW363.44 g/mol
LogP0.99
Rot. Bonds4

About 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54755864) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54755864
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C1
InChIInChI=1S/C16H21N5O3S/c1-25(23,24)21-6-2-3-11(9-21)19-16(22)12-7-17-15-14(12)20-13(8-18-15)10-4-5-10/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)(H,19,22)/t11-/m1/s1
InChIKeyKXTXIQDYAQDPBF-LLVKDONJSA-N
XLogP0.99
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

2-(6-chloro-1-methylindazol-3-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286050
2-cyclopropyl-N-(oxan-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755371
tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[2-cyclopropyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]piperidine-1-carboxylate;2-cyclopropyl-N-(1-methylsulfonylpiperidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 161106628
2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674058
N-[(1S)-1-cyclohexylethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54673425
N-[(1S,2R)-2-cyanocyclopentyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54755745
N-(1-methylsulfonylpiperidin-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47910268
N-(2-cyclohexylethyl)-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67125149
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 47910272
N-cyclohexyl-2-cyclopropyl-4-methyl-5H-pyrrolo[2,3-b]pyrazin-4-ium-7-carboxamide
CID 123988732
2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674990
N-(1-methylsulfonylpiperidin-3-yl)thiadiazole-4-carboxamide
CID 47403736

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54755864) is 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CS(=O)(=O)N1CCC[C@@H](NC(=O)c2c[nH]c3ncc(C4CC4)nc23)C1.
What is the InChIKey of 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is KXTXIQDYAQDPBF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-25(23,24)21-6-2-3-11(9-21)19-16(22)12-7-17-15-14(12)20-13(8-18-15)10-4-5-10/h7-8,10-11H,2-6,9H2,1H3,(H,17,18)(H,19,22)/t11-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54755864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).