2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H22N4O3S — CID 54674058

IUPAC2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CNC(=O)c1c[nH]c2ncc(C3CC3)nc12)CS(C)(=O)=O
InChIInChI=1S/C16H22N4O3S/c1-16(2,9-24(3,22)23)8-19-15(21)11-6-17-14-13(11)20-12(7-18-14)10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyOWQKOYHGXHYJNM-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.64
Rot. Bonds6

About 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 54674058) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID54674058
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CNC(=O)c1c[nH]c2ncc(C3CC3)nc12)CS(C)(=O)=O
InChIInChI=1S/C16H22N4O3S/c1-16(2,9-24(3,22)23)8-19-15(21)11-6-17-14-13(11)20-12(7-18-14)10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyOWQKOYHGXHYJNM-UHFFFAOYSA-N
XLogP1.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 54674058) is 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(CNC(=O)c1c[nH]c2ncc(C3CC3)nc12)CS(C)(=O)=O.
What is the InChIKey of 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OWQKOYHGXHYJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-16(2,9-24(3,22)23)8-19-15(21)11-6-17-14-13(11)20-12(7-18-14)10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,2-dimethyl-3-methylsulfonylpropyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 54674058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).