6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile

C16H9N7O — CID 23989728

IUPAC6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
SMILESCOc1ccc(-n2c(N)c(C#N)c3nc(C#N)c(C#N)nc32)cc1
InChIInChI=1S/C16H9N7O/c1-24-10-4-2-9(3-5-10)23-15(20)11(6-17)14-16(23)22-13(8-19)12(7-18)21-14/h2-5H,20H2,1H3
InChIKeyJWLRURBXYOUNOX-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.63
Rot. Bonds2

About 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile

6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile (PubChem CID 23989728) has the molecular formula C16H9N7O and a molecular weight of 315.30 g/mol. Its IUPAC name is 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile.

Molecular Properties

Compound Name6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
PubChem CID23989728
Molecular FormulaC16H9N7O
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile
SMILESCOc1ccc(-n2c(N)c(C#N)c3nc(C#N)c(C#N)nc32)cc1
InChIInChI=1S/C16H9N7O/c1-24-10-4-2-9(3-5-10)23-15(20)11(6-17)14-16(23)22-13(8-19)12(7-18)21-14/h2-5H,20H2,1H3
InChIKeyJWLRURBXYOUNOX-UHFFFAOYSA-N
XLogP1.63
TPSA137.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile?
The IUPAC name of 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile (CID 23989728) is 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile.
What is the SMILES notation for 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile?
The canonical SMILES for 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile is COc1ccc(-n2c(N)c(C#N)c3nc(C#N)c(C#N)nc32)cc1.
What is the InChIKey of 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile?
The InChIKey is JWLRURBXYOUNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N7O/c1-24-10-4-2-9(3-5-10)23-15(20)11(6-17)14-16(23)22-13(8-19)12(7-18)21-14/h2-5H,20H2,1H3.
What are the key properties of 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile?
6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile has a molecular weight of 315.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-methoxyphenyl)pyrrolo[2,3-b]pyrazine-2,3,7-tricarbonitrile is sourced from PubChem (CID 23989728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).