[2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

C17H18N4O4S — CID 67371941

IUPAC[2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(S(C)(=O)=O)c3)nc12
InChIInChI=1S/C17H18N4O4S/c1-10(2)20-17(22)25-14-9-19-16-15(14)21-13(8-18-16)11-5-4-6-12(7-11)26(3,23)24/h4-10H,1-3H3,(H,18,19)(H,20,22)
InChIKeyPAYJDRJWVZQKIL-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.53
Rot. Bonds4

About [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

[2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 67371941) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID67371941
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name[2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(S(C)(=O)=O)c3)nc12
InChIInChI=1S/C17H18N4O4S/c1-10(2)20-17(22)25-14-9-19-16-15(14)21-13(8-18-16)11-5-4-6-12(7-11)26(3,23)24/h4-10H,1-3H3,(H,18,19)(H,20,22)
InChIKeyPAYJDRJWVZQKIL-UHFFFAOYSA-N
XLogP2.53
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 67371941) is [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(-c3cccc(S(C)(=O)=O)c3)nc12.
What is the InChIKey of [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is PAYJDRJWVZQKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-10(2)20-17(22)25-14-9-19-16-15(14)21-13(8-18-16)11-5-4-6-12(7-11)26(3,23)24/h4-10H,1-3H3,(H,18,19)(H,20,22).
What are the key properties of [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 374.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 67371941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).