[4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate

C15H16N4O3S — CID 6538791

IUPAC[4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate
SMILESCc1c(-c2ccc(OS(=O)(=O)N(C)C)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H16N4O3S/c1-10-13(18-15-14(10)16-8-9-17-15)11-4-6-12(7-5-11)22-23(20,21)19(2)3/h4-9H,1-3H3,(H,17,18)
InChIKeyHVIKNWLSYBPGOG-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.12
Rot. Bonds4

About [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate

[4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate (PubChem CID 6538791) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate
PubChem CID6538791
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name[4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate
SMILESCc1c(-c2ccc(OS(=O)(=O)N(C)C)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H16N4O3S/c1-10-13(18-15-14(10)16-8-9-17-15)11-4-6-12(7-5-11)22-23(20,21)19(2)3/h4-9H,1-3H3,(H,17,18)
InChIKeyHVIKNWLSYBPGOG-UHFFFAOYSA-N
XLogP2.12
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate (CID 6538791) is [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate is Cc1c(-c2ccc(OS(=O)(=O)N(C)C)cc2)[nH]c2nccnc12.
What is the InChIKey of [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate?
The InChIKey is HVIKNWLSYBPGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-10-13(18-15-14(10)16-8-9-17-15)11-4-6-12(7-5-11)22-23(20,21)19(2)3/h4-9H,1-3H3,(H,17,18).
What are the key properties of [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate?
[4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate has a molecular weight of 332.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 6538791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).