6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide

C16H17N5O2 — CID 156869396

IUPAC6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cnc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1
InChIInChI=1S/C16H17N5O2/c1-7-4-5-10(22)9(3)13(7)21-14(17)11(15(18)23)12-16(21)20-8(2)6-19-12/h4-6,22H,17H2,1-3H3,(H2,18,23)
InChIKeyGZIXIMCOOKWYKX-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.73
Rot. Bonds2

About 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869396) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869396
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1cnc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1
InChIInChI=1S/C16H17N5O2/c1-7-4-5-10(22)9(3)13(7)21-14(17)11(15(18)23)12-16(21)20-8(2)6-19-12/h4-6,22H,17H2,1-3H3,(H2,18,23)
InChIKeyGZIXIMCOOKWYKX-UHFFFAOYSA-N
XLogP1.73
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869396) is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1cnc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2n1.
What is the InChIKey of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is GZIXIMCOOKWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-7-4-5-10(22)9(3)13(7)21-14(17)11(15(18)23)12-16(21)20-8(2)6-19-12/h4-6,22H,17H2,1-3H3,(H2,18,23).
What are the key properties of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).